(4-oxidanylidene-2-phenyl-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate

Systemtic Name: (4-oxidanylidene-2-phenyl-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Openeye Name: (4-oxo-2-phenyl-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbodithioic acid (4-oxo-2-phenyl-1H-quinazolin-6-yl)methyl ester IUPAC Name: (4-oxo-2-phenyl-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbodithioic acid (4-keto-2-phenyl-1H-quinazolin-6-yl)methyl ester Formula: C26H23FN4OS2 MolecularWeight: 490.615423

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23FN4OS2/c27-20-7-9-21(10-8-20)30-12-14-31(15-13-30)26(33)34-17-18-6-11-23-22(16-18)25(32)29-24(28-23)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2,(H,28,29,32)