N-(4,5-dimethyl-2-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1-isobutylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(1-isobutylbenzimidazol-2-yl)thio]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C21H24N4O3S/c1-13(2)11-24-18-8-6-5-7-16(18)23-21(24)29-12-20(26)22-17-9-14(3)15(4)10-19(17)25(27)28/h5-10,13H,11-12H2,1-4H3,(H,22,26)