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

Systemtic Name: dimethyl-[2-[(3-methylsulfanylphenyl)carbonyl-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-methylsulfanylbenzoyl)-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[3-(methylthio)phenyl]-oxomethyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methylsulfanylbenzoyl)-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[[3-(methylthio)benzoyl]-(6-nitro-1,3-benzothiazol-2-yl)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)C3=CC(=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c1-21(2)9-10-22(18(24)13-5-4-6-15(11-13)27-3)19-20-16-8-7-14(23(25)26)12-17(16)28-19/h4-8,11-12H,9-10H2,1-3H3/p+1