2-[3-(2,2-diphenylethanoyl)-1,3-benzothiazol-3-ium-2-yl]-2,2-diphenyl-ethanamide

Systemtic Name: 2-[3-(2,2-diphenylethanoyl)-1,3-benzothiazol-3-ium-2-yl]-2,2-diphenyl-ethanamide Openeye Name: 2-[3-(2,2-diphenylacetyl)-1,3-benzothiazol-3-ium-2-yl]-2,2-diphenyl-acetamide CAS Name: 2-[3-(1-oxo-2,2-diphenylethyl)-1,3-benzothiazol-3-ium-2-yl]-2,2-diphenylacetamide IUPAC Name: 2-[3-(2,2-diphenylacetyl)-1,3-benzothiazol-3-ium-2-yl]-2,2-diphenylacetamide Traditional Name: 2-[3-(2,2-diphenylacetyl)-1,3-benzothiazol-3-ium-2-yl]-2,2-diphenyl-acetamide Formula: C35H27N2O2S+ MolecularWeight: 539.66608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)[N+]3=C(SC4=CC=CC=C43)C(C5=CC=CC=C5)(C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)[N+]3=C(SC4=CC=CC=C43)C(C5=CC=CC=C5)(C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C35H26N2O2S/c36-33(39)35(27-19-9-3-10-20-27,28-21-11-4-12-22-28)34-37(29-23-13-14-24-30(29)40-34)32(38)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24,31H,(H-,36,39)/p+1