N-(pyridin-4-ylmethylcarbamothioyl)adamantane-1-carboxamide

Systemtic Name: N-(pyridin-4-ylmethylcarbamothioyl)adamantane-1-carboxamide Openeye Name: N-(4-pyridylmethylcarbamothioyl)adamantane-1-carboxamide CAS Name: N-[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-(pyridin-4-ylmethylcarbamothioyl)adamantane-1-carboxamide Traditional Name: N-(4-pyridylmethylthiocarbamoyl)adamantane-1-carboxamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3OS/c22-16(21-17(23)20-11-12-1-3-19-4-2-12)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2,(H2,20,21,22,23)