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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-13(2)7-19(23)22-17-5-3-4-6-18(17)26-11-15-9-16(21)8-14-10-24-12-25-20(14)15/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,22,23)