7-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-(2-fluorophenyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-(2-fluorophenyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-(2-fluorophenyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-3-(2-fluorophenyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-(2-fluorophenyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2-fluorophenyl)-7-(homoveratrylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C25H21FN3O4S- MolecularWeight: 478.515343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4F)OC

InChI

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