N-(2-chloranyl-4-methyl-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-(1-isobutylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(1-isobutylbenzimidazol-2-yl)thio]acetamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-13(2)11-24-18-7-5-4-6-17(18)23-20(24)26-12-19(25)22-16-9-8-14(3)10-15(16)21/h4-10,13H,11-12H2,1-3H3,(H,22,25)