N-(1,3-benzodioxol-5-ylmethyl)-2-[(7,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide Traditional Name: 2-[(4-keto-7,8-dimethyl-1H-quinolin-2-yl)methylthio]-N-piperonyl-acetamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

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