3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-(4-fluorobenzoyl)azepan-2-one Formula: C20H17FN2O2S2 MolecularWeight: 400.489583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN2O2S2/c21-14-10-8-13(9-11-14)18(24)23-12-4-3-7-17(19(23)25)27-20-22-15-5-1-2-6-16(15)26-20/h1-2,5-6,8-11,17H,3-4,7,12H2