methyl 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-[[2-(trifluoromethyl)-4-quinazolinyl]hydrazo]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H16F3N5O2S MolecularWeight: 387.38005

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

COC(=O)CCCNC(=S)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O2S/c1-25-11(24)7-4-8-19-14(26)23-22-12-9-5-2-3-6-10(9)20-13(21-12)15(16,17)18/h2-3,5-6H,4,7-8H2,1H3,(H2,19,23,26)(H,20,21,22)