N-(1,3-benzodioxol-5-ylmethyl)-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-methoxy-4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(7-methoxy-4-methyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4S/c1-13-7-21(23-17-9-15(25-2)4-5-16(13)17)28-11-20(24)22-10-14-3-6-18-19(8-14)27-12-26-18/h3-9H,10-12H2,1-2H3,(H,22,24)