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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H27N3O2S/c1-3-16-8-10-17(11-9-16)21(27)12-13-22(28)24-20(14-15-29-2)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)