methyl 4-oxidanylidene-2-sulfanylidene-3-[[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-sulfanylidene-3-[[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-thioxo-3-[[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo-(3,4,5-trimethoxyanilino)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanylidene-3-[[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-thioxo-3-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]benzyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C27H25N3O7S MolecularWeight: 535.5683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C27H25N3O7S/c1-34-21-12-18(13-22(35-2)23(21)36-3)28-24(31)16-7-5-15(6-8-16)14-30-25(32)19-10-9-17(26(33)37-4)11-20(19)29-27(30)38/h5-13H,14H2,1-4H3,(H,28,31)(H,29,38)