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

Systemtic Name: N-(2-cyanoethyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O2S/c29-18-10-20-31(23-14-5-2-6-15-23)26(33)21-35-28-30-25-17-8-7-16-24(25)27(34)32(28)19-9-13-22-11-3-1-4-12-22/h1-8,11-12,14-17H,9-10,13,19-21H2