N-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide

Systemtic Name: N-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: N-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: N-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: N-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC5=C(C=C4)OCCCO5

InChI

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