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

Systemtic Name: 2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC#N

InChI

InChI=1S/C23H24N4O2S/c1-2-3-7-17-10-12-18(13-11-17)27-22(29)19-8-4-5-9-20(19)26-23(27)30-16-21(28)25-15-6-14-24/h4-5,8-13H,2-3,6-7,15-16H2,1H3,(H,25,28)