N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-methyl-acetamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

InChI

InChI=1S/C19H22N4O2S/c1-22(12-6-11-20)17(24)13-26-19-21-16-10-5-4-9-15(16)18(25)23(19)14-7-2-3-8-14/h4-5,9-10,14H,2-3,6-8,12-13H2,1H3