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

Systemtic Name: N-(2-cyanoethyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S/c27-16-9-17-29(21-12-5-2-6-13-21)24(31)19-33-26-28-23-15-8-7-14-22(23)25(32)30(26)18-20-10-3-1-4-11-20/h1-8,10-15H,9,17-19H2