N-(3,4-dimethoxyphenyl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H25N3O5S/c1-4-34-19-12-10-18(11-13-19)29-25(31)20-7-5-6-8-21(20)28-26(29)35-16-24(30)27-17-9-14-22(32-2)23(15-17)33-3/h5-15H,4,16H2,1-3H3,(H,27,30)