3-(3,5-dimethylphenyl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[(1S)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[(1S)-2-ketocyclohexyl]thio]quinazolin-4-one Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H]4CCCCC4=O)C

InChI

InChI=1S/C22H22N2O2S/c1-14-11-15(2)13-16(12-14)24-21(26)17-7-3-4-8-18(17)23-22(24)27-20-10-6-5-9-19(20)25/h3-4,7-8,11-13,20H,5-6,9-10H2,1-2H3/t20-/m0/s1