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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-propoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-propoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-propoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-propoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-propoxy-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-13-26-16-10-8-15(9-11-16)21(25)24-19(12-14-27-2)20-22-17-6-4-5-7-18(17)23-20/h4-11,19H,3,12-14H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1