N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3-fluoro-4-methoxyphenyl)acetamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-fluoro-4-methoxyphenyl)acetamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2S/c1-26-18-8-7-13(11-14(18)21)12-19(25)22-17(9-10-27-2)20-23-15-5-3-4-6-16(15)24-20/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,25)(H,23,24)