2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O2S/c1-3-21(2)22-14-16-24(17-15-22)33-28(35)25-12-7-8-13-26(25)31-29(33)36-20-27(34)32(19-9-18-30)23-10-5-4-6-11-23/h4-8,10-17,21H,3,9,19-20H2,1-2H3