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

Systemtic Name: 2-[(4-ethylsulfanylphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethylsulfanylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(ethylthio)phenyl]-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethylsulfanylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(ethylthio)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)C

InChI

InChI=1S/C21H25N3OS2/c1-5-26-17-11-9-16(10-12-17)20(25)24(14-13-23(3)4)21-22-19-15(2)7-6-8-18(19)27-21/h6-12H,5,13-14H2,1-4H3/p+1