N-(1,3-benzodioxol-5-ylmethyl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3,7-dimethyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3S/c1-13-3-5-16-8-14(2)21(23-17(16)7-13)27-11-20(24)22-10-15-4-6-18-19(9-15)26-12-25-18/h3-9H,10-12H2,1-2H3,(H,22,24)