N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-diethoxy-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-diethoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-diethoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4-diethoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-diethoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4-diethoxy-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C22H27N3O3S/c1-4-27-19-11-10-15(14-20(19)28-5-2)22(26)25-18(12-13-29-3)21-23-16-8-6-7-9-17(16)24-21/h6-11,14,18H,4-5,12-13H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1