(2R)-N-(2-methoxy-4-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-allylbenzimidazol-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-4-11-23-17-8-6-5-7-15(17)22-20(23)29-13(2)19(25)21-16-10-9-14(24(26)27)12-18(16)28-3/h4-10,12-13H,1,11H2,2-3H3,(H,21,25)/t13-/m1/s1