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

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(m-tolyl)piperazine-1-carbothioamide Formula: C20H22FN3OS MolecularWeight: 371.471583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H22FN3OS/c1-14-4-3-5-17(12-14)22-20(26)24-10-8-23(9-11-24)19-7-6-16(15(2)25)13-18(19)21/h3-7,12-13H,8-11H2,1-2H3,(H,22,26)