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

Systemtic Name: (Z)-N1'-cyclooctyl-N1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (Z)-N1'-cyclooctyl-N1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (Z)-N1'-cyclooctyl-N1-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (Z)-1-N'-cyclooctyl-1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: [5-[[2-[[(Z)-1-(cyclooctylamino)-2-nitro-vinyl]amino]ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C20H34N4O3S MolecularWeight: 410.57396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC2CCCCCCC2

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCN/C(=C/[N+](=O)[O-])/NC2CCCCCCC2

InChI

InChI=1S/C20H34N4O3S/c1-23(2)14-18-10-11-19(27-18)16-28-13-12-21-20(15-24(25)26)22-17-8-6-4-3-5-7-9-17/h10-11,15,17,21-22H,3-9,12-14,16H2,1-2H3/b20-15-