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

Systemtic Name: N-[2-oxidanylidene-2-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(benzylcarbamothioyl)hydrazino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-oxo-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[N'-(benzylthiocarbamoyl)hydrazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NNC(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NNC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2S/c26-18(24-25-20(28)23-12-14-4-2-1-3-5-14)13-22-19(27)21-9-15-6-16(10-21)8-17(7-15)11-21/h1-5,15-17H,6-13H2,(H,22,27)(H,24,26)(H2,23,25,28)