N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(1-methyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-[(1-methylbenzimidazol-2-yl)thio]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C21H24N4O2S/c1-13-8-7-9-14(2)19(13)24-18(26)12-22-20(27)15(3)28-21-23-16-10-5-6-11-17(16)25(21)4/h5-11,15H,12H2,1-4H3,(H,22,27)(H,24,26)