C73

2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

Created:	2010-12-01
Last modified:	2011-06-04

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1 entries where C73 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	12

2D diagram of C73

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Chemical Component Summary
Name	2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
Systematic Name (OpenEye OEToolkits)	2-(aminocarbonylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
Formula	C₁₇ H₁₉ Cl N₄ O₂ S
Molecular Weight	378.876
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc2sc(cc2C(=O)NC1CCCNC1)c3ccc(Cl)cc3)N
SMILES	CACTVS	3.370	NC(=O)Nc1sc(cc1C(=O)N[CH]2CCCNC2)c3ccc(Cl)cc3
SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)NC3CCCNC3)Cl
Canonical SMILES	CACTVS	3.370	NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl
InChI	InChI	1.03	InChI=1S/C17H19ClN4O2S/c18-11-5-3-10(4-6-11)14-8-13(16(25-14)22-17(19)24)15(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
InChIKey	InChI	1.03	MZBVMTJFZZINAF-LBPRGKRZSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL470288
PubChem	11451776
ChEMBL	CHEMBL470288

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