N-(2-cyanoethyl)-2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-3-o-phenetyl-quinazolin-2-yl)thio]-N-(p-tolyl)acetamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H26N4O3S/c1-3-35-25-12-7-6-11-24(25)32-27(34)22-9-4-5-10-23(22)30-28(32)36-19-26(33)31(18-8-17-29)21-15-13-20(2)14-16-21/h4-7,9-16H,3,8,18-19H2,1-2H3