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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-benzylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-benzylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-benzylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C24H24N3OS+ MolecularWeight: 402.53186

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C24H23N3OS/c1-27(17-24-26-21-13-7-8-14-22(21)29-24)16-23(28)25-20-12-6-5-11-19(20)15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,25,28)/p+1