N-(3-oxidanylidene-1-phenyl-butan-2-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-oxidanylidene-1-phenyl-butan-2-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(1-benzyl-2-oxo-propyl)acetamide CAS Name: N-(3-oxo-1-phenylbutan-2-yl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3-oxo-1-phenylbutan-2-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(1-benzyl-2-keto-propyl)acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-3-13-25-20-12-8-7-11-18(20)24-22(25)28-15-21(27)23-19(16(2)26)14-17-9-5-4-6-10-17/h3-12,19H,1,13-15H2,2H3,(H,23,27)