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

Systemtic Name: N-[2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide CAS Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]adamantane-1-carboxamide Formula: C26H28ClNO3S MolecularWeight: 470.02342

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4SCC5=C6C(=CC(=C5)Cl)COCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4SCC5=C6C(=CC(=C5)Cl)COCO6

InChI

InChI=1S/C26H28ClNO3S/c27-21-8-19-13-30-15-31-24(19)20(9-21)14-32-23-4-2-1-3-22(23)28-25(29)26-10-16-5-17(11-26)7-18(6-16)12-26/h1-4,8-9,16-18H,5-7,10-15H2,(H,28,29)