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

Systemtic Name: [4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-methylpiperazine-1-carbodithioate Openeye Name: [4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-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-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [4-keto-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl ester Formula: C16H17F3N4OS2 MolecularWeight: 402.45759

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC2=CC3=C(C=C2)NC(=NC3=O)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC2=CC3=C(C=C2)NC(=NC3=O)C(F)(F)F

InChI

InChI=1S/C16H17F3N4OS2/c1-22-4-6-23(7-5-22)15(25)26-9-10-2-3-12-11(8-10)13(24)21-14(20-12)16(17,18)19/h2-3,8H,4-7,9H2,1H3,(H,20,21,24)