N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carbothioamide Formula: C19H16ClF3N4S MolecularWeight: 424.87035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H16ClF3N4S/c20-17-6-3-14(11-16(17)19(21,22)23)25-18(28)27-9-7-26(8-10-27)15-4-1-13(12-24)2-5-15/h1-6,11H,7-10H2,(H,25,28)