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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]-N-(2-methoxyethyl)acetamide Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-27-9-8-22-19(25)12-30-21-23-16-5-3-2-4-15(16)20(26)24(21)11-14-6-7-17-18(10-14)29-13-28-17/h2-7,10H,8-9,11-13H2,1H3,(H,22,25)