2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[2-(p-tolylsulfanyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(5,7-dimethyl-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:

CC1=CC=C(C=C1)SCC(=O)N(CC[NH+](C)C)C2=NC3=CC(=CC(=C3S2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CC[NH+](C)C)C2=NC3=CC(=CC(=C3S2)C)C

InChI

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