2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)ethanamide

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)ethanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(2,3-dimethylcyclohexyl)acetamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-(2,3-dimethylcyclohexyl)acetamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C26H35N3O2S/c1-18-9-8-14-22(19(18)2)27-24(30)17-32-26-28-23-13-7-6-12-21(23)25(31)29(26)16-15-20-10-4-3-5-11-20/h6-7,10,12-13,18-19,22H,3-5,8-9,11,14-17H2,1-2H3,(H,27,30)