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

Systemtic Name: N-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S2/c1-11-8-12(2)20(14(4)24)13(3)17(11)10-26-21-23-18-7-6-16(22-15(5)25)9-19(18)27-21/h6-9H,10H2,1-5H3,(H,22,25)