N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(methylthio)phenyl]ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine Traditional Name: 1-[4-(methylthio)phenyl]ethyl-piperonyl-amine Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO2S/c1-12(14-4-6-15(21-2)7-5-14)18-10-13-3-8-16-17(9-13)20-11-19-16/h3-9,12,18H,10-11H2,1-2H3