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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-ethoxyphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-ethoxyphenyl)-4-oxo-butanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-ethoxyphenyl)-4-oxobutanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(4-ethoxyphenyl)-4-oxobutanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-keto-4-p-phenetyl-butyramide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H27N3O3S/c1-3-29-17-10-8-16(9-11-17)21(27)12-13-22(28)24-20(14-15-30-2)23-25-18-6-4-5-7-19(18)26-23/h4-11,20H,3,12-15H2,1-2H3,(H,24,28)(H,25,26)