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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C19H18ClF2N3OS MolecularWeight: 409.880526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl)F

InChI

InChI=1S/C19H18ClF2N3OS/c1-12(26)13-2-5-18(17(22)10-13)24-6-8-25(9-7-24)19(27)23-14-3-4-16(21)15(20)11-14/h2-5,10-11H,6-9H2,1H3,(H,23,27)