3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,5-dimethoxyphenyl)-N-homoveratryl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)NC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)NC2=S

InChI

InChI=1S/C27H27N3O6S/c1-33-18-7-10-22(34-2)21(15-18)30-26(32)19-8-6-17(14-20(19)29-27(30)37)25(31)28-12-11-16-5-9-23(35-3)24(13-16)36-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,31)(H,29,37)