1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-methyl-ammonium Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS2/c1-23(14-20-22-17-9-5-6-10-18(17)26-20)13-19(24)21-11-12-25-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,24)/p+1