2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS2/c1-15-12-18-19(13-16(15)2)27-21(22-18)24(11-10-23(3)4)20(25)14-26-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14H2,1-4H3/p+1