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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(2-ethylsulfanylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(2-ethylsulfanylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[[2-(ethylthio)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(2-ethylsulfanylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[2-(ethylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3OS2/c1-4-25-17-11-7-5-9-15(17)19(24)23(14-13-22(2)3)20-21-16-10-6-8-12-18(16)26-20/h5-12H,4,13-14H2,1-3H3/p+1