2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-[3-(methylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)SC)Cl

InChI

InChI=1S/C20H22ClN3OS2/c1-13-16(21)8-9-17-18(13)22-20(27-17)24(11-10-23(2)3)19(25)14-6-5-7-15(12-14)26-4/h5-9,12H,10-11H2,1-4H3/p+1