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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)Cl

InChI

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