2-(1-adamantyl)-N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(5-ethyl-2-hydroxy-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(5-ethyl-2-hydroxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(5-ethyl-2-hydroxy-phenyl)thiocarbamoyl]acetamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)O)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=CC(=C(C=C1)O)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O2S/c1-2-13-3-4-18(24)17(8-13)22-20(26)23-19(25)12-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,14-16,24H,2,5-7,9-12H2,1H3,(H2,22,23,25,26)