N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide

Systemtic Name: N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Openeye Name: N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide CAS Name: N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanamide IUPAC Name: N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Traditional Name: N-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propionamide Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H27NO3S/c1-13(26-17-2-3-18-19(9-17)25-5-4-24-18)20(23)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,13-16H,4-8,10-12H2,1H3,(H,22,23)