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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H19ClF3N3S MolecularWeight: 413.88747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClF3N3S/c20-16-6-4-14(5-7-16)13-24-18(27)26-10-8-25(9-11-26)17-3-1-2-15(12-17)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)