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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-oxidanylidene-4-(4-propoxyphenyl)butanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-oxo-4-(4-propoxyphenyl)butanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-oxo-4-(4-propoxyphenyl)butanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-oxo-4-(4-propoxyphenyl)butanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-keto-4-(4-propoxyphenyl)butyramide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C24H29N3O3S/c1-3-15-30-18-10-8-17(9-11-18)22(28)12-13-23(29)25-21(14-16-31-2)24-26-19-6-4-5-7-20(19)27-24/h4-11,21H,3,12-16H2,1-2H3,(H,25,29)(H,26,27)/t21-/m0/s1