N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(2-chloro-4,6-dimethyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(2-chloro-4,6-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(2-chloro-4,6-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(2-chloro-4,6-dimethyl-phenyl)piperazine-1-carbothioamide Formula: C21H23ClFN3OS MolecularWeight: 419.943223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3OS/c1-13-10-14(2)20(17(22)11-13)24-21(28)26-8-6-25(7-9-26)19-5-4-16(15(3)27)12-18(19)23/h4-5,10-12H,6-9H2,1-3H3,(H,24,28)