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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-hexyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-hexyl-quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-hexyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-hexylquinazolin-4-one Traditional Name: 3-hexyl-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C20H28N2O2S MolecularWeight: 360.51352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C20H28N2O2S/c1-5-6-7-10-13-22-18(24)15-11-8-9-12-16(15)21-19(22)25-14-17(23)20(2,3)4/h8-9,11-12H,5-7,10,13-14H2,1-4H3