3-(3,4-dimethoxyphenyl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(2-oxocycloheptyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[(2-oxocycloheptyl)thio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(2-oxocycloheptyl)sulfanylquinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(2-ketocycloheptyl)thio]quinazolin-4-one Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O)OC

InChI

InChI=1S/C23H24N2O4S/c1-28-19-13-12-15(14-20(19)29-2)25-22(27)16-8-6-7-9-17(16)24-23(25)30-21-11-5-3-4-10-18(21)26/h6-9,12-14,21H,3-5,10-11H2,1-2H3