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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethoxy-4-methoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-ethoxy-4-methoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-ethoxy-4-methoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-ethoxy-4-methoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-ethoxy-4-methoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-27-19-13-14(9-10-18(19)26-2)21(25)24-17(11-12-28-3)20-22-15-7-5-6-8-16(15)23-20/h5-10,13,17H,4,11-12H2,1-3H3,(H,22,23)(H,24,25)/t17-/m0/s1