4-(3-chloranylpyridin-2-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-2-pyridyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloropyridin-2-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-2-pyridyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H18ClF3N4S MolecularWeight: 414.87553

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)C(F)(F)F)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C18H18ClF3N4S/c1-12-11-25(16-15(19)3-2-8-23-16)9-10-26(12)17(27)24-14-6-4-13(5-7-14)18(20,21)22/h2-8,12H,9-11H2,1H3,(H,24,27)