(2R)-2-(1-ethanoylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: (2R)-2-(1-ethanoylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: (2R)-2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: (2R)-2-[(1-acetyl-2-benzimidazolyl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: (2R)-2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: (2R)-2-[(1-acetylbenzimidazol-2-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2C(=O)C

InChI

InChI=1S/C18H16N4O4S/c1-11(17(24)19-13-7-9-14(10-8-13)22(25)26)27-18-20-15-5-3-4-6-16(15)21(18)12(2)23/h3-11H,1-2H3,(H,19,24)/t11-/m1/s1