2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-piperonyl-acetamide Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H25NO3S/c22-19(21-10-13-1-2-17-18(6-13)24-12-23-17)11-25-20-7-14-3-15(8-20)5-16(4-14)9-20/h1-2,6,14-16H,3-5,7-12H2,(H,21,22)