N-(2-methyl-3-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-isobutylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[(1-isobutylbenzimidazol-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-13(2)11-23-18-9-5-4-7-16(18)22-20(23)28-12-19(25)21-15-8-6-10-17(14(15)3)24(26)27/h4-10,13H,11-12H2,1-3H3,(H,21,25)