3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-p-anisyl-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Formula: C24H18F3N3O4S MolecularWeight: 501.47763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)NC2=S

InChI

InChI=1S/C24H18F3N3O4S/c1-33-17-7-2-14(3-8-17)13-30-22(32)19-11-4-15(12-20(19)29-23(30)35)21(31)28-16-5-9-18(10-6-16)34-24(25,26)27/h2-12H,13H2,1H3,(H,28,31)(H,29,35)