3-(3-methylphenyl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-methylphenyl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(m-tolyl)-2-(2-oxocycloheptyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-methylphenyl)-2-[(2-oxocycloheptyl)thio]-4-quinazolinone IUPAC Name: 3-(3-methylphenyl)-2-(2-oxocycloheptyl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-ketocycloheptyl)thio]-3-(m-tolyl)quinazolin-4-one Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O

InChI

InChI=1S/C22H22N2O2S/c1-15-8-7-9-16(14-15)24-21(26)17-10-5-6-11-18(17)23-22(24)27-20-13-4-2-3-12-19(20)25/h5-11,14,20H,2-4,12-13H2,1H3