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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethoxy)benzyl]piperazine-1-carbothioamide Formula: C23H24F3N5O3S MolecularWeight: 507.52857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)OC(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)OC(F)(F)F)OC

InChI

InChI=1S/C23H24F3N5O3S/c1-32-19-11-17-18(12-20(19)33-2)28-14-29-21(17)30-7-9-31(10-8-30)22(35)27-13-15-3-5-16(6-4-15)34-23(24,25)26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,27,35)