N-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbothioylbenzamide

Systemtic Name: N-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbothioylbenzamide Openeye Name: N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioyl]benzamide Formula: C18H16ClF3N4OS MolecularWeight: 428.85905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClF3N4OS/c19-14-10-13(18(20,21)22)11-23-15(14)25-6-8-26(9-7-25)17(28)24-16(27)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,24,27,28)