3-(3,3-diethoxypropyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,3-diethoxypropyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,3-diethoxypropyl)-2-(p-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3,3-diethoxypropyl)-2-[(4-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,3-diethoxypropyl)-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,3-diethoxypropyl)-2-[(4-methylbenzyl)thio]quinazolin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C23H28N2O3S/c1-4-27-21(28-5-2)14-15-25-22(26)19-8-6-7-9-20(19)24-23(25)29-16-18-12-10-17(3)11-13-18/h6-13,21H,4-5,14-16H2,1-3H3