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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-(trifluoromethylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethylthio)phenyl]piperazine-1-carbothioamide Formula: C22H22F3N5O2S2 MolecularWeight: 509.56759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N5O2S2/c1-31-18-11-16-17(12-19(18)32-2)26-13-27-20(16)29-7-9-30(10-8-29)21(33)28-14-3-5-15(6-4-14)34-22(23,24)25/h3-6,11-13H,7-10H2,1-2H3,(H,28,33)