N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c1-4-9-24-17-8-6-5-7-16(17)22-20(24)26-12-18(25)23-19-14(3)10-13(2)11-15(19)21/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,25)