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

Systemtic Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[2-(p-tolylsulfanyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-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=C(C=CC(=C3S2)C)C

Isomeric SMILES

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

InChI

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