N-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]carbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]carbonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbothioamide Formula: C19H17ClF3N3OS MolecularWeight: 427.87099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2C(F)(F)F)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2C(F)(F)F)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H17ClF3N3OS/c20-13-4-3-5-14(12-13)24-18(28)26-10-8-25(9-11-26)17(27)15-6-1-2-7-16(15)19(21,22)23/h1-7,12H,8-11H2,(H,24,28)