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

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C21H21FN4OS2 MolecularWeight: 428.546043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4OS2/c1-14-23-19-7-2-15(12-18(19)20(27)24-14)13-29-21(28)26-10-8-25(9-11-26)17-5-3-16(22)4-6-17/h2-7,12H,8-11,13H2,1H3,(H,23,24,27)