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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[2-(phenethylcarbamoyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-[oxo-(phenethylamino)methyl]anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-(phenethylcarbamoyl)anilino]ethyl]-methyl-ammonium Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-30(18-25-29-22-13-7-8-14-23(22)33-25)17-24(31)28-21-12-6-5-11-20(21)26(32)27-16-15-19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,27,32)(H,28,31)/p+1