N-[5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Openeye Name: N-[5-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide CAS Name: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide IUPAC Name: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide Traditional Name: N-[5-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3OC)C

InChI

InChI=1S/C22H23N3O3S2/c1-12-10-13(2)19(15(4)26)14(3)17(12)11-29-22-25-24-21(30-22)23-20(27)16-8-6-7-9-18(16)28-5/h6-10H,11H2,1-5H3,(H,23,24,27)