2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-[3-(2,3-dimethylcyclohexyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isobutyl-acetamide CAS Name: 2-[[3-(2,3-dimethylcyclohexyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[3-(2,3-dimethylcyclohexyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[[3-(2,3-dimethylcyclohexyl)-4-keto-quinazolin-2-yl]thio]-N-isobutyl-acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(C)C

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(C)C

InChI

InChI=1S/C22H31N3O2S/c1-14(2)12-23-20(26)13-28-22-24-18-10-6-5-9-17(18)21(27)25(22)19-11-7-8-15(3)16(19)4/h5-6,9-10,14-16,19H,7-8,11-13H2,1-4H3,(H,23,26)