4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C21H24FN3OS/c1-3-16-5-4-6-18(13-16)23-21(27)25-11-9-24(10-12-25)20-8-7-17(15(2)26)14-19(20)22/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,27)