(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-propanamide

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-propanamide Openeye Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-propanamide CAS Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide Traditional Name: (2S)-2-(1H-benzimidazol-2-ylthio)-N-[2-(2-ethylanilino)-2-keto-ethyl]-N-methyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H24N4O2S/c1-4-15-9-5-6-10-16(15)22-19(26)13-25(3)20(27)14(2)28-21-23-17-11-7-8-12-18(17)24-21/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,24)/t14-/m0/s1