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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-homoveratryl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN3O4S/c1-32-21-10-3-15(13-22(21)33-2)11-12-27-23(30)16-4-9-19-20(14-16)28-25(34)29(24(19)31)18-7-5-17(26)6-8-18/h3-10,13-14H,11-12H2,1-2H3,(H,27,30)(H,28,34)