N-[(pyridin-4-ylcarbonylamino)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(pyridin-4-ylcarbonylamino)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(pyridine-4-carbonylamino)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(pyridine-4-carbonylamino)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-(isonicotinamidothiocarbamoyl)adamantane-1-carboxamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c23-15(14-1-3-19-4-2-14)21-22-17(25)20-16(24)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,23)(H2,20,22,24,25)