N-(1,3-benzodioxol-5-yl)-3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]propanamide Openeye Name: 3-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 3-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 3-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSCCC(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSCCC(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C22H25NO4S/c1-13-9-14(2)22(16(4)24)15(3)18(13)11-28-8-7-21(25)23-17-5-6-19-20(10-17)27-12-26-19/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,23,25)