N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide

Systemtic Name: N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C27H26N2O2S2 MolecularWeight: 474.63754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=C(C(=C4C)C(=O)C)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=C(C(=C4C)C(=O)C)C)C

InChI

InChI=1S/C27H26N2O2S2/c1-15-8-6-7-9-21(15)26(31)28-20-10-11-23-24(13-20)33-27(29-23)32-14-22-16(2)12-17(3)25(18(22)4)19(5)30/h6-13H,14H2,1-5H3,(H,28,31)