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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H21ClFN3OS MolecularWeight: 405.916643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H21ClFN3OS/c1-13-16(21)4-3-5-18(13)23-20(27)25-10-8-24(9-11-25)19-7-6-15(14(2)26)12-17(19)22/h3-7,12H,8-11H2,1-2H3,(H,23,27)