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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4OS2/c1-15(2)21-25-20-8-3-16(13-19(20)22(29)26-21)14-31-23(30)28-11-9-27(10-12-28)18-6-4-17(24)5-7-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29)