N-[2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-2,2-dimethyl-propionamide Formula: C20H22ClNO3S MolecularWeight: 391.91158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H22ClNO3S/c1-20(2,3)19(23)22-16-6-4-5-7-17(16)26-11-14-9-15(21)8-13-10-24-12-25-18(13)14/h4-9H,10-12H2,1-3H3,(H,22,23)