N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c23-13-6-14-25(16-7-2-1-3-8-16)20(27)15-29-22-24-19-10-5-4-9-18(19)21(28)26(22)17-11-12-17/h1-5,7-10,17H,6,11-12,14-15H2