N-(1,3-benzodioxol-5-ylmethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-piperonyl-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H17N3O3S2/c26-20(23-11-14-7-8-17-18(10-14)28-13-27-17)12-30-22-15-4-1-2-5-16(15)24-21(25-22)19-6-3-9-29-19/h1-10H,11-13H2,(H,23,26)