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

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[2-(p-tolylsulfanyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[2-(4-methylphenyl)sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[2-(p-tolylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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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(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3OS2/c1-14-4-7-16(8-5-14)26-13-19(25)24(11-10-23(2)3)20-22-17-9-6-15(21)12-18(17)27-20/h4-9,12H,10-11,13H2,1-3H3/p+1