N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide CAS Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]phenyl]adamantane-1-carboxamide Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4SCC5=CC6=C(C=C5Cl)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4SCC5=CC6=C(C=C5Cl)OCO6

InChI

InChI=1S/C25H26ClNO3S/c26-19-9-22-21(29-14-30-22)8-18(19)13-31-23-4-2-1-3-20(23)27-24(28)25-10-15-5-16(11-25)7-17(6-15)12-25/h1-4,8-9,15-17H,5-7,10-14H2,(H,27,28)