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

Systemtic Name: (2-ethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Openeye Name: (2-ethyl-4-oxo-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbodithioic acid (2-ethyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-ethyl-4-oxo-1H-quinazolin-6-yl)methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbodithioic acid (2-ethyl-4-keto-1H-quinazolin-6-yl)methyl ester Formula: C22H23FN4OS2 MolecularWeight: 442.572623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS2/c1-2-20-24-19-8-3-15(13-18(19)21(28)25-20)14-30-22(29)27-11-9-26(10-12-27)17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3,(H,24,25,28)