[4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: [4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl ester IUPAC Name: [4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [4-keto-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl ester Formula: C21H19F3N4OS2 MolecularWeight: 464.52697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4OS2/c22-21(23,24)19-25-17-7-6-14(12-16(17)18(29)26-19)13-31-20(30)28-10-8-27(9-11-28)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26,29)