2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(1-prop-2-enyl-2-benzimidazolyl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C21H23N3O4S/c1-5-10-24-16-9-7-6-8-15(16)23-21(24)29-13-19(25)22-14-11-17(26-2)20(28-4)18(12-14)27-3/h5-9,11-12H,1,10,13H2,2-4H3,(H,22,25)