4-(6,7-dimethoxyquinazolin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C22H22F3N5O2S MolecularWeight: 477.50259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(F)(F)F)OC

InChI

InChI=1S/C22H22F3N5O2S/c1-31-18-11-16-17(12-19(18)32-2)26-13-27-20(16)29-6-8-30(9-7-29)21(33)28-15-5-3-4-14(10-15)22(23,24)25/h3-5,10-13H,6-9H2,1-2H3,(H,28,33)