N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C22H28N2O4S/c25-20(13-29-17-2-3-18-19(9-17)28-5-1-4-27-18)23-21(26)24-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,1,4-8,10-13H2,(H2,23,24,25,26)