N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-ylmethylthio)acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(piperonylthio)acetamide Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSCC4=CC5=C(C=C4)OCO5

InChI

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