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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-homoveratryl-4-keto-N-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27N3O5S/c1-29-12-4-10-24-21(27)16-6-7-17-18(14-16)25-23(32)26(22(17)28)11-9-15-5-8-19(30-2)20(13-15)31-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,27)(H,25,32)