2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N2O4S/c30-25(29-27-13-17-9-18(14-27)11-19(10-17)15-27)16-34-24-4-2-1-3-21(24)26(31)28-20-5-6-22-23(12-20)33-8-7-32-22/h1-6,12,17-19H,7-11,13-16H2,(H,28,31)(H,29,30)