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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-acetamide Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4S/c1-2-3-10-25-21(27)16-6-4-5-7-17(16)24-22(25)30-13-20(26)23-12-15-8-9-18-19(11-15)29-14-28-18/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,26)