(Z)-3-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl]-N'-methyl-1-methylsulfanyl-2-nitro-oct-1-ene-1,8-diamine

Systemtic Name: (Z)-3-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl]-N'-methyl-1-methylsulfanyl-2-nitro-oct-1-ene-1,8-diamine Openeye Name: (Z)-3-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl]-N'-methyl-1-methylsulfanyl-2-nitro-oct-1-ene-1,8-diamine CAS Name: (Z)-3-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl]-N'-methyl-1-(methylthio)-2-nitro-1-octene-1,8-diamine IUPAC Name: (Z)-3-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methyl-1-methylsulfanyl-2-nitrooct-1-ene-1,8-diamine Traditional Name: [(Z)-5-amino-3-[5-(methylamino)pentyl]-5-(methylthio)-4-nitro-pent-4-enyl]-p-anisyl-(2-pyridyl)amine Formula: C25H37N5O3S MolecularWeight: 487.65798

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCC(CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2)C(=C(N)SC)[N+](=O)[O-]

Isomeric SMILES

CNCCCCCC(CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2)/C(=C(\N)/SC)/[N+](=O)[O-]

InChI

InChI=1S/C25H37N5O3S/c1-27-16-7-4-5-9-21(24(30(31)32)25(26)34-3)15-18-29(23-10-6-8-17-28-23)19-20-11-13-22(33-2)14-12-20/h6,8,10-14,17,21,27H,4-5,7,9,15-16,18-19,26H2,1-3H3/b25-24-