2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]-N-[(3,4,5-trimethoxybenzylidene)amino]acetamide Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C28H28N4O6S/c1-5-38-20-12-10-19(11-13-20)32-27(34)21-8-6-7-9-22(21)30-28(32)39-17-25(33)31-29-16-18-14-23(35-2)26(37-4)24(15-18)36-3/h6-16H,5,17H2,1-4H3,(H,31,33)