N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)N(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)N(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C21H26N4OS/c22-4-2-6-25(14-15-3-1-5-23-13-15)20(27)24-19(26)21-10-16-7-17(11-21)9-18(8-16)12-21/h1,3,5,13,16-18H,2,6-12,14H2,(H,24,26,27)