4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C21H24FN3OS2 MolecularWeight: 417.563163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3)F

InChI

InChI=1S/C21H24FN3OS2/c1-16(26)17-7-8-20(19(22)15-17)24-10-12-25(13-11-24)21(27)23-9-14-28-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,23,27)