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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]-methyl-ammonium Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C19H21N3OS2/c1-22(14-19-21-16-9-5-6-10-17(16)25-19)13-18(23)20-11-12-24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)/p+1