(E)-N1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)ethyl]-N1'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)ethyl]-N1'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)ethyl]-N1'-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)ethyl]-N1'-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)ethyl]-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: [5-[[2-[[(E)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)ethylamino]-2-nitro-vinyl]amino]ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C23H32N4O5S2 MolecularWeight: 508.65398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCN/C(=C/[N+](=O)[O-])/NCCSCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H32N4O5S2/c1-26(2)14-19-4-5-20(32-19)17-34-12-8-25-23(15-27(28)29)24-7-11-33-16-18-3-6-21-22(13-18)31-10-9-30-21/h3-6,13,15,24-25H,7-12,14,16-17H2,1-2H3/b23-15+