3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C24H18F3N3O4S MolecularWeight: 501.47763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)NC2=S)OC

InChI

InChI=1S/C24H18F3N3O4S/c1-33-19-9-7-16(12-20(19)34-2)30-22(32)17-8-6-13(10-18(17)29-23(30)35)21(31)28-15-5-3-4-14(11-15)24(25,26)27/h3-12H,1-2H3,(H,28,31)(H,29,35)