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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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