2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-(1-adamantylthio)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O3S/c24-4-1-5-25(19-2-3-20-21(11-19)28-7-6-27-20)22(26)15-29-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18H,1,5-10,12-15H2