3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3S/c1-2-29-16-10-11-17-18(13-16)25-22(24-17)30-19-5-3-4-12-26(21(19)28)20(27)14-6-8-15(23)9-7-14/h6-11,13,19H,2-5,12H2,1H3,(H,24,25)