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

Systemtic Name: [4-oxidanylidene-2-(phenylmethyl)-1H-quinazolin-6-yl]methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Openeye Name: (2-benzyl-4-oxo-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbodithioic acid [4-oxo-2-(phenylmethyl)-1H-quinazolin-6-yl]methyl ester IUPAC Name: (2-benzyl-4-oxo-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbodithioic acid (2-benzyl-4-keto-1H-quinazolin-6-yl)methyl ester Formula: C27H25FN4OS2 MolecularWeight: 504.642003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)SCC3=CC4=C(C=C3)NC(=NC4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H25FN4OS2/c28-21-7-9-22(10-8-21)31-12-14-32(15-13-31)27(34)35-18-20-6-11-24-23(16-20)26(33)30-25(29-24)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,29,30,33)