2-(1-adamantylsulfanyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO3S/c1-23(12-18-13-25-19-4-2-3-5-20(19)26-18)21(24)14-27-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-18H,6-14H2,1H3/t15?,16?,17?,18-,22?/m0/s1