3-(2,6-dimethylphenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-2-(2-oxocyclohexyl)sulfanyl-quinazolin-4-one CAS Name: 3-(2,6-dimethylphenyl)-2-[(2-oxocyclohexyl)thio]-4-quinazolinone IUPAC Name: 3-(2,6-dimethylphenyl)-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-2-[(2-ketocyclohexyl)thio]quinazolin-4-one Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

InChI

InChI=1S/C22H22N2O2S/c1-14-8-7-9-15(2)20(14)24-21(26)16-10-3-4-11-17(16)23-22(24)27-19-13-6-5-12-18(19)25/h3-4,7-11,19H,5-6,12-13H2,1-2H3