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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methoxy-4-propan-2-yloxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-isopropoxy-3-methoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methoxy-4-propan-2-yloxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methoxy-4-propan-2-yloxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-isopropoxy-3-methoxy-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H27N3O3S/c1-14(2)28-19-10-9-15(13-20(19)27-3)22(26)25-18(11-12-29-4)21-23-16-7-5-6-8-17(16)24-21/h5-10,13-14,18H,11-12H2,1-4H3,(H,23,24)(H,25,26)/t18-/m0/s1