(E)-N1-[2-[[2-[[ethyl(propyl)amino]methyl]-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-N1'-(2-methylpropyl)-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1-[2-[[2-[[ethyl(propyl)amino]methyl]-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-N1'-(2-methylpropyl)-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[[2-[[ethyl(propyl)amino]methyl]-5-propyl-thiazol-4-yl]methylsulfanyl]ethyl]-N1'-isobutyl-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-[2-[[2-[[ethyl(propyl)amino]methyl]-5-propyl-4-thiazolyl]methylthio]ethyl]-N1'-(2-methylpropyl)-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[[2-[[ethyl(propyl)amino]methyl]-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N'-(2-methylpropyl)-2-nitroethene-1,1-diamine Traditional Name: ethyl-[[4-[[2-[[(E)-1-(isobutylamino)-2-nitro-vinyl]amino]ethylthio]methyl]-5-propyl-thiazol-2-yl]methyl]-propyl-amine Formula: C21H39N5O2S2 MolecularWeight: 457.69666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)CN(CC)CCC)CSCCNC(=C[N+](=O)[O-])NCC(C)C

Isomeric SMILES

CCCC1=C(N=C(S1)CN(CC)CCC)CSCCN/C(=C/[N+](=O)[O-])/NCC(C)C

InChI

InChI=1S/C21H39N5O2S2/c1-6-9-19-18(24-21(30-19)15-25(8-3)11-7-2)16-29-12-10-22-20(14-26(27)28)23-13-17(4)5/h14,17,22-23H,6-13,15-16H2,1-5H3/b20-14-