4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H22F3N5S MolecularWeight: 397.46099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C18H22F3N5S/c1-13-14(11-24(2)23-13)12-25-6-8-26(9-7-25)17(27)22-16-5-3-4-15(10-16)18(19,20)21/h3-5,10-11H,6-9,12H2,1-2H3,(H,22,27)