N-(2-morpholin-4-ylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(2-morpholin-4-ylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2-morpholinophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide CAS Name: N-[2-(4-morpholinyl)phenyl]-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-morpholin-4-ylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2-morpholinophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Formula: C20H23F3N6OS MolecularWeight: 452.49643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)C(=S)NC3=CC=CC=C3N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)C(=S)NC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C20H23F3N6OS/c21-20(22,23)17-5-6-24-18(26-17)28-7-9-29(10-8-28)19(31)25-15-3-1-2-4-16(15)27-11-13-30-14-12-27/h1-6H,7-14H2,(H,25,31)