N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4,5-triethoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4,5-triethoxy-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C24H31N3O4S/c1-5-29-20-14-16(15-21(30-6-2)22(20)31-7-3)24(28)27-19(12-13-32-4)23-25-17-10-8-9-11-18(17)26-23/h8-11,14-15,19H,5-7,12-13H2,1-4H3,(H,25,26)(H,27,28)/t19-/m0/s1