N-(2,3-dimethyl-6-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2CC=C)C

InChI

InChI=1S/C20H20N4O3S/c1-4-11-23-16-8-6-5-7-15(16)21-20(23)28-12-18(25)22-19-14(3)13(2)9-10-17(19)24(26)27/h4-10H,1,11-12H2,2-3H3,(H,22,25)