QYD

N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4-CARBOXAMIDE

Created:	2015-03-08
Last modified:	2015-05-13

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1 entries where QYD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	12

2D diagram of QYD

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Chemical Component Summary
Name	N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	(2S)-N-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide
Formula	C₁₇ H₁₇ N₃ O₃ S
Molecular Weight	343.4
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(NC(=O)N2CCS[CH](C2)c3ccccc3)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(NC(=O)N2CCS[C@H](C2)c3ccccc3)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C17H17N3O3S/c21-17(18-14-6-8-15(9-7-14)20(22)23)19-10-11-24-16(12-19)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,21)/t16-/m1/s1
InChIKey	InChI	1.03	PNYRURHCCDDZLP-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	91754981

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