N-[(1R)-1-(1-adamantyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H29NO3S/c1-14(22-10-15-6-16(11-22)8-17(7-15)12-22)23-21(24)13-27-18-2-3-19-20(9-18)26-5-4-25-19/h2-3,9,14-17H,4-8,10-13H2,1H3,(H,23,24)/t14-,15?,16?,17?,22?/m1/s1