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

Systemtic Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine Openeye Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine CAS Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine IUPAC Name: N',N'-diethyl-N-(4-nitro-1,3-benzothiazol-5-yl)propane-1,3-diamine Traditional Name: diethyl-[3-[(4-nitro-1,3-benzothiazol-5-yl)amino]propyl]amine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-3-17(4-2)9-5-8-15-11-6-7-12-13(16-10-21-12)14(11)18(19)20/h6-7,10,15H,3-5,8-9H2,1-2H3