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

Systemtic Name: [2-(4-chlorophenyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Openeye Name: [2-(4-chlorophenyl)-4-oxo-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbodithioic acid [2-(4-chlorophenyl)-4-oxo-1H-quinazolin-6-yl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-4-oxo-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbodithioic acid [2-(4-chlorophenyl)-4-keto-1H-quinazolin-6-yl]methyl ester Formula: C26H22ClFN4OS2 MolecularWeight: 525.060483

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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)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H22ClFN4OS2/c27-19-4-2-18(3-5-19)24-29-23-10-1-17(15-22(23)25(33)30-24)16-35-26(34)32-13-11-31(12-14-32)21-8-6-20(28)7-9-21/h1-10,15H,11-14,16H2,(H,29,30,33)