N-(1-cyano-1-cyclopropyl-ethyl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-22(14-23,15-11-12-15)25-19(27)13-29-21-24-18-10-6-5-9-17(18)20(28)26(21)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-13H2,1H3,(H,25,27)