5-[[(Z)-1-(methylamino)-2-nitro-ethenyl]amino]pentyl carbamimidothioate

Systemtic Name: 5-[[(Z)-1-(methylamino)-2-nitro-ethenyl]amino]pentyl carbamimidothioate Openeye Name: 2-[5-[[(Z)-1-(methylamino)-2-nitro-vinyl]amino]pentyl]isothiourea CAS Name: carbamimidothioic acid 5-[[(Z)-1-(methylamino)-2-nitroethenyl]amino]pentyl ester IUPAC Name: 5-[[(Z)-1-(methylamino)-2-nitroethenyl]amino]pentyl carbamimidothioate Traditional Name: 2-[5-[[(Z)-1-(methylamino)-2-nitro-vinyl]amino]pentyl]isothiourea Formula: C9H19N5O2S MolecularWeight: 261.34446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=C[N+](=O)[O-])NCCCCCSC(=N)N

Isomeric SMILES

CN/C(=C/[N+](=O)[O-])/NCCCCCSC(=N)N

InChI

InChI=1S/C9H19N5O2S/c1-12-8(7-14(15)16)13-5-3-2-4-6-17-9(10)11/h7,12-13H,2-6H2,1H3,(H3,10,11)/b8-7-