N-(2,4-dimethylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide CAS Name: N-(2,4-dimethylphenyl)-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2,4-dimethylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Formula: C18H20F3N5S MolecularWeight: 395.44511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F)C

InChI

InChI=1S/C18H20F3N5S/c1-12-3-4-14(13(2)11-12)23-17(27)26-9-7-25(8-10-26)16-22-6-5-15(24-16)18(19,20)21/h3-6,11H,7-10H2,1-2H3,(H,23,27)