N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethyl-4-oxo-1H-quinolin-2-yl)methylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide Traditional Name: 2-[(6-ethyl-4-keto-1H-quinolin-2-yl)methylthio]-N-piperonyl-acetamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=CC2=O)CSCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O4S/c1-2-14-3-5-18-17(7-14)19(25)9-16(24-18)11-29-12-22(26)23-10-15-4-6-20-21(8-15)28-13-27-20/h3-9H,2,10-13H2,1H3,(H,23,26)(H,24,25)