N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]ethanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]ethanamine Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-ethyl-piperonyl-amine Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-3-24(11-14-4-7-19-20(8-14)26-13-25-19)12-16-9-15-5-6-17(27-2)10-18(15)23-21(16)22/h4-10H,3,11-13H2,1-2H3