4-[[(Z)-1-(methylamino)-2-nitro-ethenyl]amino]butyl carbamimidothioate

Systemtic Name: 4-[[(Z)-1-(methylamino)-2-nitro-ethenyl]amino]butyl carbamimidothioate Openeye Name: 2-[4-[[(Z)-1-(methylamino)-2-nitro-vinyl]amino]butyl]isothiourea CAS Name: carbamimidothioic acid 4-[[(Z)-1-(methylamino)-2-nitroethenyl]amino]butyl ester IUPAC Name: 4-[[(Z)-1-(methylamino)-2-nitroethenyl]amino]butyl carbamimidothioate Traditional Name: 2-[4-[[(Z)-1-(methylamino)-2-nitro-vinyl]amino]butyl]isothiourea Formula: C8H17N5O2S MolecularWeight: 247.31788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17N5O2S/c1-11-7(6-13(14)15)12-4-2-3-5-16-8(9)10/h6,11-12H,2-5H2,1H3,(H3,9,10)/b7-6-