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

Systemtic Name: N-(2-cyanoethyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-N-phenyl-propionamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O2S/c1-22(27(34)32(21-11-19-30)24-15-6-3-7-16-24)36-29-31-26-18-9-8-17-25(26)28(35)33(29)20-10-14-23-12-4-2-5-13-23/h2-9,12-13,15-18,22H,10-11,14,20-21H2,1H3