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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-keto-2-thioxo-3-[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)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F)OC

InChI

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