N-[2-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[N'-[(3,4-dimethylphenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H30N4O2S/c1-13-3-4-18(5-14(13)2)24-21(29)26-25-19(27)12-23-20(28)22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,15-17H,6-12H2,1-2H3,(H,23,28)(H,25,27)(H2,24,26,29)