2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-(p-tolylsulfanyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-(p-tolylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3OS2/c1-5-17-8-11-19-20(14-17)28-22(23-19)25(13-12-24(3)4)21(26)15-27-18-9-6-16(2)7-10-18/h6-11,14H,5,12-13,15H2,1-4H3/p+1