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

Systemtic Name: (4-oxidanylidene-2-propyl-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Openeye Name: (4-oxo-2-propyl-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbodithioic acid (4-oxo-2-propyl-1H-quinazolin-6-yl)methyl ester IUPAC Name: (4-oxo-2-propyl-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbodithioic acid (4-keto-2-propyl-1H-quinazolin-6-yl)methyl ester Formula: C23H25FN4OS2 MolecularWeight: 456.599203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4OS2/c1-2-3-21-25-20-9-4-16(14-19(20)22(29)26-21)15-31-23(30)28-12-10-27(11-13-28)18-7-5-17(24)6-8-18/h4-9,14H,2-3,10-13,15H2,1H3,(H,25,26,29)