2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide CAS Name: 2-(1-adamantylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide Traditional Name: 2-(1-adamantylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO3S/c1-23(13-15-2-3-19-20(9-15)26-5-4-25-19)21(24)14-27-22-10-16-6-17(11-22)8-18(7-16)12-22/h2-3,9,16-18H,4-8,10-14H2,1H3