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

Systemtic Name: N-(cyanomethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c22-12-13-24(15-6-2-1-3-7-15)19(26)14-28-21-23-18-9-5-4-8-17(18)20(27)25(21)16-10-11-16/h1-9,16H,10-11,13-14H2