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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methoxy-4-prop-2-enoxy-benzamide Openeye Name: 4-allyloxy-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methoxy-4-prop-2-enoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methoxy-4-prop-2-enoxybenzamide Traditional Name: 4-allyloxy-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OCC=C

InChI

InChI=1S/C22H25N3O3S/c1-4-12-28-19-10-9-15(14-20(19)27-2)22(26)25-18(11-13-29-3)21-23-16-7-5-6-8-17(16)24-21/h4-10,14,18H,1,11-13H2,2-3H3,(H,23,24)(H,25,26)/t18-/m0/s1