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

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-22(2)11-12-23(19(24)14-26-16-7-5-4-6-8-16)20-21-17-10-9-15(25-3)13-18(17)27-20/h4-10,13H,11-12,14H2,1-3H3/p+1