N-[2-[2-[(2-methylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[(2-methylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(o-tolylcarbamothioyl)hydrazino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[(2-methylanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-[(2-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[N'-(o-tolylthiocarbamoyl)hydrazino]ethyl]adamantane-1-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N4O2S/c1-13-4-2-3-5-17(13)23-20(28)25-24-18(26)12-22-19(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,27)(H,24,26)(H2,23,25,28)