2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]-N-(3-methoxypropyl)acetamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O5S/c1-28-10-4-9-23-20(26)13-31-22-24-17-6-3-2-5-16(17)21(27)25(22)12-15-7-8-18-19(11-15)30-14-29-18/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,23,26)