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

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-acetamide CAS Name: 2-(1-adamantylthio)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide Traditional Name: 2-(1-adamantylthio)-N-ethyl-N-piperonyl-acetamide Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO3S/c1-2-23(12-15-3-4-19-20(8-15)26-14-25-19)21(24)13-27-22-9-16-5-17(10-22)7-18(6-16)11-22/h3-4,8,16-18H,2,5-7,9-14H2,1H3