2-(1-adamantyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]acetamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)CC5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)CC5=CC=NC=C5

InChI

InChI=1S/C25H29N3OS/c29-23(16-25-13-19-10-20(14-25)12-21(11-19)15-25)28-24(30)27-22-3-1-17(2-4-22)9-18-5-7-26-8-6-18/h1-8,19-21H,9-16H2,(H2,27,28,29,30)