2-(1-adamantylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(1-adamantylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C21H27NO3S/c23-20(22-17-2-3-18-19(9-17)25-5-1-4-24-18)13-26-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,1,4-8,10-13H2,(H,22,23)