N-(2-cyanopropan-2-yl)-N-methyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2S/c1-22(2,15-23)25(3)19(27)14-29-21-24-18-12-8-7-11-17(18)20(28)26(21)13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3