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

Systemtic Name: N-[2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-3,3-dimethyl-butanamide CAS Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-3,3-dimethylbutanamide Traditional Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-3,3-dimethyl-butyramide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3S/c1-21(2,3)10-19(24)23-17-6-4-5-7-18(17)27-12-15-9-16(22)8-14-11-25-13-26-20(14)15/h4-9H,10-13H2,1-3H3,(H,23,24)