2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 3-(3-ethoxypropyl)-2-(piperonylthio)quinazolin-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4S/c1-2-25-11-5-10-23-20(24)16-6-3-4-7-17(16)22-21(23)28-13-15-8-9-18-19(12-15)27-14-26-18/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3