(E)-N1'-[2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]cyclododecyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-[2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]cyclododecyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-[2-[1-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]cyclododecyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-[2-[1-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]cyclododecyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-[2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]cyclododecyl]-2-nitroethene-1,1-diamine Traditional Name: [5-[[1-[2-[[(E)-1-amino-2-nitro-vinyl]amino]cyclododecyl]ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C24H42N4O3S MolecularWeight: 466.68028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCCCCCCC1NC(=C[N+](=O)[O-])N)SCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CC(C1CCCCCCCCCCC1N/C(=C/[N+](=O)[O-])/N)SCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C24H42N4O3S/c1-19(32-18-21-15-14-20(31-21)16-27(2)3)22-12-10-8-6-4-5-7-9-11-13-23(22)26-24(25)17-28(29)30/h14-15,17,19,22-23,26H,4-13,16,18,25H2,1-3H3/b24-17+