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

Systemtic Name: N-[2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-1-methyl-cyclohexane-1-carboxamide Openeye Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-1-methyl-cyclohexanecarboxamide CAS Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-1-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-1-methylcyclohexane-1-carboxamide Traditional Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-1-methyl-cyclohexanecarboxamide Formula: C23H26ClNO3S MolecularWeight: 431.97544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C23H26ClNO3S/c1-23(9-5-2-6-10-23)22(26)25-19-7-3-4-8-20(19)29-14-17-12-18(24)11-16-13-27-15-28-21(16)17/h3-4,7-8,11-12H,2,5-6,9-10,13-15H2,1H3,(H,25,26)