2-(5,6-dimethyl-2-oxidanylidene-3H-benzimidazol-1-yl)-4-methylsulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(5,6-dimethyl-2-oxidanylidene-3H-benzimidazol-1-yl)-4-methylsulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-4-methylsulfanyl-butanamide CAS Name: 2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-4-(methylthio)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-4-methylsulfanylbutanamide Traditional Name: N-benzyl-2-(2-keto-5,6-dimethyl-3H-benzimidazol-1-yl)-4-(methylthio)butyramide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=O)N2)C(CCSC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=O)N2)C(CCSC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-14-11-17-19(12-15(14)2)24(21(26)23-17)18(9-10-27-3)20(25)22-13-16-7-5-4-6-8-16/h4-8,11-12,18H,9-10,13H2,1-3H3,(H,22,25)(H,23,26)