N-(1-adamantylcarbamothioyl)-2-(4-chloranyl-3-methyl-phenoxy)ethanamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2-(4-chloranyl-3-methyl-phenoxy)ethanamide Openeye Name: N-(1-adamantylcarbamothioyl)-2-(4-chloro-3-methyl-phenoxy)acetamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-(4-chloro-3-methylphenoxy)acetamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2-(4-chloro-3-methylphenoxy)acetamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2-(4-chloro-3-methyl-phenoxy)acetamide Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C20H25ClN2O2S/c1-12-4-16(2-3-17(12)21)25-11-18(24)22-19(26)23-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-11H2,1H3,(H2,22,23,24,26)