(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide CAS Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-(4-nitrophenyl)butanamide IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide Traditional Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-(4-nitrophenyl)butyramide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16N4O3S/c1-2-15(25-17-19-13-5-3-4-6-14(13)20-17)16(22)18-11-7-9-12(10-8-11)21(23)24/h3-10,15H,2H2,1H3,(H,18,22)(H,19,20)/t15-/m1/s1