2-[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O3S/c1-12-4-18(24-27-12)23-20(26)13(2)28-11-19(25)22-14(3)21-8-15-5-16(9-21)7-17(6-15)10-21/h4,13-17H,5-11H2,1-3H3,(H,22,25)(H,23,24,26)