N1,N1'-bis[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: N1,N1'-bis[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: N1,N1'-bis[2-[[5-(methylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: N1,N1'-bis[2-[[5-(methylaminomethyl)-2-furanyl]methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: 1-N,1-N'-bis[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: methyl-[[5-[[2-[[1-[2-[[5-(methylaminomethyl)-2-furyl]methylthio]ethylamino]-2-nitro-vinyl]amino]ethylthio]methyl]-2-furyl]methyl]amine Formula: C20H31N5O4S2 MolecularWeight: 469.62124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=CC=C(O2)CNC

Isomeric SMILES

CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=CC=C(O2)CNC

InChI

InChI=1S/C20H31N5O4S2/c1-21-11-16-3-5-18(28-16)14-30-9-7-23-20(13-25(26)27)24-8-10-31-15-19-6-4-17(29-19)12-22-2/h3-6,13,21-24H,7-12,14-15H2,1-2H3