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

Systemtic Name: 2-bromanyl-N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-bromo-benzamide CAS Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-bromobenzamide IUPAC Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-bromobenzamide Traditional Name: N-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-2-bromo-benzamide Formula: C26H23BrN2O2S2 MolecularWeight: 539.50702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br)C

InChI

InChI=1S/C26H23BrN2O2S2/c1-14-11-15(2)24(17(4)30)16(3)20(14)13-32-26-29-22-10-9-18(12-23(22)33-26)28-25(31)19-7-5-6-8-21(19)27/h5-12H,13H2,1-4H3,(H,28,31)