N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(2,5-dimethylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(2,5-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(2,5-dimethylphenyl)-4-oxo-butanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(2,5-dimethylphenyl)-4-keto-butyramide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H27N3O2S/c1-15-8-9-16(2)17(14-15)21(27)10-11-22(28)24-20(12-13-29-3)23-25-18-6-4-5-7-19(18)26-23/h4-9,14,20H,10-13H2,1-3H3,(H,24,28)(H,25,26)