N1'-(1,3-benzodioxol-5-ylmethyl)-N1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethane-1,1-diamine

Systemtic Name: N1'-(1,3-benzodioxol-5-ylmethyl)-N1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethane-1,1-diamine Openeye Name: N1'-(1,3-benzodioxol-5-ylmethyl)-N1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethane-1,1-diamine CAS Name: N1'-(1,3-benzodioxol-5-ylmethyl)-N1-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-2-nitroethane-1,1-diamine IUPAC Name: 1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethane-1,1-diamine Traditional Name: dimethyl-[[5-[[2-[[2-nitro-1-(piperonylamino)ethyl]amino]ethylthio]methyl]-2-furyl]methyl]amine Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(C[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC(C[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H28N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,20-22H,7-8,10-14H2,1-2H3