N-(1,3-benzodioxol-5-ylmethyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-piperonyl-hexanamide Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H23N3O4S/c26-20(23-13-15-9-10-18-19(12-15)29-14-28-18)8-2-1-5-11-25-21(27)16-6-3-4-7-17(16)24-22(25)30/h3-4,6-7,9-10,12H,1-2,5,8,11,13-14H2,(H,23,26)(H,24,30)