dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(6-nitro-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl]ammonium Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S2/c1-21(2)10-11-22(18(24)13-27-15-6-4-3-5-7-15)19-20-16-9-8-14(23(25)26)12-17(16)28-19/h3-9,12H,10-11,13H2,1-2H3/p+1