N-[2-[2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-[(3-chloro-2-methyl-phenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-[(3-chloro-2-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[N'-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27ClN4O2S/c1-12-16(22)3-2-4-17(12)24-20(29)26-25-18(27)11-23-19(28)21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,13-15H,5-11H2,1H3,(H,23,28)(H,25,27)(H2,24,26,29)