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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-benzylsulfanylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(phenylmethylthio)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-benzylsulfanylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(benzylthio)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C24H24N3OS2+ MolecularWeight: 434.59686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3OS2/c1-27(16-24-26-20-12-6-8-14-22(20)30-24)15-23(28)25-19-11-5-7-13-21(19)29-17-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,25,28)/p+1