6-[[(Z)-1-(butylamino)-2-nitro-ethenyl]amino]hexyl carbamimidothioate

Systemtic Name: 6-[[(Z)-1-(butylamino)-2-nitro-ethenyl]amino]hexyl carbamimidothioate Openeye Name: 2-[6-[[(Z)-1-(butylamino)-2-nitro-vinyl]amino]hexyl]isothiourea CAS Name: carbamimidothioic acid 6-[[(Z)-1-(butylamino)-2-nitroethenyl]amino]hexyl ester IUPAC Name: 6-[[(Z)-1-(butylamino)-2-nitroethenyl]amino]hexyl carbamimidothioate Traditional Name: 2-[6-[[(Z)-1-(butylamino)-2-nitro-vinyl]amino]hexyl]isothiourea Formula: C13H27N5O2S MolecularWeight: 317.45078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=C[N+](=O)[O-])NCCCCCCSC(=N)N

Isomeric SMILES

CCCCN/C(=C/[N+](=O)[O-])/NCCCCCCSC(=N)N

InChI

InChI=1S/C13H27N5O2S/c1-2-3-8-16-12(11-18(19)20)17-9-6-4-5-7-10-21-13(14)15/h11,16-17H,2-10H2,1H3,(H3,14,15)/b12-11-