3-(2,3-dimethylcyclohexyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,3-dimethylcyclohexyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(2,3-dimethylcyclohexyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-(2,3-dimethylcyclohexyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylcyclohexyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-(2,3-dimethylcyclohexyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-14-9-8-12-18(15(14)2)24-20(26)16-10-6-7-11-17(16)23-21(24)27-13-19(25)22(3,4)5/h6-7,10-11,14-15,18H,8-9,12-13H2,1-5H3