N-[[1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]butanamide

Systemtic Name: N-[[1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]butanamide Openeye Name: N-[[1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]benzimidazol-2-yl]methyl]butanamide CAS Name: N-[[1-[2-[3-(methylthio)anilino]-2-oxoethyl]-2-benzimidazolyl]methyl]butanamide IUPAC Name: N-[[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide Traditional Name: N-[[1-[2-keto-2-[3-(methylthio)anilino]ethyl]benzimidazol-2-yl]methyl]butyramide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCC(=O)NCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H24N4O2S/c1-3-7-20(26)22-13-19-24-17-10-4-5-11-18(17)25(19)14-21(27)23-15-8-6-9-16(12-15)28-2/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,22,26)(H,23,27)