(Z)-N1-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-N1'-[2-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methylsulfanyl]ethyl]ethene-1,1-diamine

Systemtic Name: (Z)-N1-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-N1'-[2-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methylsulfanyl]ethyl]ethene-1,1-diamine Openeye Name: (Z)-N1-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-N1'-[2-[[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methylsulfanyl]ethyl]ethene-1,1-diamine CAS Name: (Z)-N1-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-N1'-[2-[[5-(1-pyrrolidinylmethyl)-2-thiophenyl]methylthio]ethyl]ethene-1,1-diamine IUPAC Name: (Z)-1-N-[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-1-N'-[2-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methylsulfanyl]ethyl]ethene-1,1-diamine Traditional Name: dimethyl-[3-[3-[[(Z)-2-nitro-1-[2-[[5-(pyrrolidinomethyl)-2-thienyl]methylthio]ethylamino]vinyl]amino]propoxy]benzyl]amine Formula: C26H39N5O3S2 MolecularWeight: 533.74956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)OCCCNC(=C[N+](=O)[O-])NCCSCC2=CC=C(S2)CN3CCCC3

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)OCCCN/C(=C/[N+](=O)[O-])/NCCSCC2=CC=C(S2)CN3CCCC3

InChI

InChI=1S/C26H39N5O3S2/c1-29(2)18-22-7-5-8-23(17-22)34-15-6-11-27-26(20-31(32)33)28-12-16-35-21-25-10-9-24(36-25)19-30-13-3-4-14-30/h5,7-10,17,20,27-28H,3-4,6,11-16,18-19,21H2,1-2H3/b26-20-