(2R)-N-(4-acetamidophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-acetamidophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(4-acetamidophenyl)-2-(1-allylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(4-acetamidophenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(4-acetamidophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-acetamidophenyl)-2-[(1-allylbenzimidazol-2-yl)thio]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C21H22N4O2S/c1-4-13-25-19-8-6-5-7-18(19)24-21(25)28-14(2)20(27)23-17-11-9-16(10-12-17)22-15(3)26/h4-12,14H,1,13H2,2-3H3,(H,22,26)(H,23,27)/t14-/m1/s1