(2R)-N-(2-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: (2R)-N-(2-nitrophenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(2-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-allylbenzimidazol-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C19H18N4O3S/c1-3-12-22-16-10-6-4-8-14(16)21-19(22)27-13(2)18(24)20-15-9-5-7-11-17(15)23(25)26/h3-11,13H,1,12H2,2H3,(H,20,24)/t13-/m1/s1