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

Systemtic Name: 3-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C20H17ClFN3O2S MolecularWeight: 417.884283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17ClFN3O2S/c21-13-6-9-15-16(11-13)24-20(23-15)28-17-3-1-2-10-25(19(17)27)18(26)12-4-7-14(22)8-5-12/h4-9,11,17H,1-3,10H2,(H,23,24)