1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butan-2-amine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butan-2-amine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butan-2-amine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-butanamine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butan-2-amine Traditional Name: 1-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]propylamine Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=CC2=C(C=C1)OCCCO2)N

Isomeric SMILES

CCC(CSC1=CC2=C(C=C1)OCCCO2)N

InChI

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