1-(7-bromanyl-1,3-benzodioxol-5-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

Systemtic Name: 1-(7-bromanyl-1,3-benzodioxol-5-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine Openeye Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-N-tetrahydrothiophen-3-yl-ethane-1,2-diamine CAS Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-N-(3-thiolanyl)ethane-1,2-diamine IUPAC Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine Traditional Name: [2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)ethyl]-methyl-tetrahydrothiophen-3-yl-amine Formula: C14H19BrN2O2S MolecularWeight: 359.28186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C(CN)C2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

CN(C1CCSC1)C(CN)C2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C14H19BrN2O2S/c1-17(10-2-3-20-7-10)12(6-16)9-4-11(15)14-13(5-9)18-8-19-14/h4-5,10,12H,2-3,6-8,16H2,1H3