N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[3-(methylthio)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[3-(methylthio)propyl]amine Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CSCCCNC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H19NO2S/c1-17-9-2-6-14-11-4-5-12-13(10-11)16-8-3-7-15-12/h4-5,10,14H,2-3,6-9H2,1H3