3-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 3-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-[[4-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-[4-(homoveratrylcarbamoyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)O)NC3=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)O)NC3=S)OC

InChI

InChI=1S/C27H25N3O6S/c1-35-22-10-5-16(13-23(22)36-2)11-12-28-24(31)18-6-3-17(4-7-18)15-30-25(32)20-9-8-19(26(33)34)14-21(20)29-27(30)37/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,31)(H,29,37)(H,33,34)