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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carbothioamide Openeye Name: N-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carbothioamide CAS Name: N-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]-1-piperidinecarbothioamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carbothioamide Traditional Name: N-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carbothioamide Formula: C19H22F3N5S MolecularWeight: 409.47169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)NC3=NC=CC(=N3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)NC3=NC=CC(=N3)C(F)(F)F)C

InChI

InChI=1S/C19H22F3N5S/c1-12-3-4-15(13(2)11-12)25-18(28)27-9-6-14(7-10-27)24-17-23-8-5-16(26-17)19(20,21)22/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,25,28)(H,23,24,26)