2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-2-morpholin-4-yl-propyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-2-morpholin-4-yl-propyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2-methyl-2-morpholino-propyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[2-methyl-2-(4-morpholinyl)propyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-methyl-2-morpholino-propyl)benzamide Formula: C27H39N3O3S MolecularWeight: 485.68186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)N5CCOCC5

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)N5CCOCC5

InChI

InChI=1S/C27H39N3O3S/c1-26(2,30-7-9-33-10-8-30)18-28-25(32)22-5-3-4-6-23(22)34-17-24(31)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,19-21H,7-18H2,1-2H3,(H,28,32)(H,29,31)