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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Traditional Name: N-piperonyl-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S/c27-20(24-13-15-9-10-18-19(12-15)29-14-28-18)8-2-1-5-11-23-21-16-6-3-4-7-17(16)25-22(30)26-21/h3-4,6-7,9-10,12H,1-2,5,8,11,13-14H2,(H,24,27)(H2,23,25,26,30)