N',N'-dimethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine

Systemtic Name: N',N'-dimethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine Openeye Name: N',N'-dimethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine CAS Name: N',N'-dimethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine IUPAC Name: N',N'-dimethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine Traditional Name: dimethyl-[3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propyl]amine Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O2S/c1-15(2)7-3-6-13-9-4-5-10-11(14-8-19-10)12(9)16(17)18/h4-5,8,13H,3,6-7H2,1-2H3