N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[benzyl(2-pyridyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(phenylmethyl)-(2-pyridinyl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[benzyl(pyridin-2-yl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[benzyl(2-pyridyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)N(CC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)N(CC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C24H27N3OS/c28-22(24-13-18-10-19(14-24)12-20(11-18)15-24)26-23(29)27(21-8-4-5-9-25-21)16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2,(H,26,28,29)