N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-methyl-acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C22H28N4O2S/c1-16(2)13-26-20(28)17-9-5-6-10-18(17)24-21(26)29-14-19(27)25(3)22(15-23)11-7-4-8-12-22/h5-6,9-10,16H,4,7-8,11-14H2,1-3H3