3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

InChI

InChI=1S/C22H28N2O2S/c1-22(2,3)19(25)15-27-21-23-18-12-8-7-11-17(18)20(26)24(21)14-13-16-9-5-4-6-10-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3