N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide Openeye Name: N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide CAS Name: N-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]-2-phenoxyacetamide IUPAC Name: N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-phenoxyacetamide Traditional Name: N-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N2O3S2/c1-17-12-18(2)14-21(13-17)29-10-11-31-25-27-22-9-8-19(15-23(22)32-25)26-24(28)16-30-20-6-4-3-5-7-20/h3-9,12-15H,10-11,16H2,1-2H3,(H,26,28)