N-(1-adamantyl)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]acetamide Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSCC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSCC4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C20H24ClNO3S/c21-16-4-15(5-17-19(16)25-11-24-17)9-26-10-18(23)22-20-6-12-1-13(7-20)3-14(2-12)8-20/h4-5,12-14H,1-3,6-11H2,(H,22,23)