[4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate

Systemtic Name: [4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Openeye Name: [4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbodithioic acid [4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl ester IUPAC Name: [4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbodithioic acid [4-keto-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl ester Formula: C21H18F4N4OS2 MolecularWeight: 482.517433

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)C(F)(F)F

InChI

InChI=1S/C21H18F4N4OS2/c22-14-2-4-15(5-3-14)28-7-9-29(10-8-28)20(31)32-12-13-1-6-17-16(11-13)18(30)27-19(26-17)21(23,24)25/h1-6,11H,7-10,12H2,(H,26,27,30)