N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-methyl-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H26N4O2S/c1-15(2)25-19(27)16-9-5-6-10-17(16)23-20(25)28-13-18(26)24(3)21(14-22)11-7-4-8-12-21/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3