2-(1-adamantyl)-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-phenylthiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-phenylthiazol-2-yl)thiocarbamoyl]acetamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H25N3OS2/c26-19(12-22-9-14-6-15(10-22)8-16(7-14)11-22)24-20(27)25-21-23-18(13-28-21)17-4-2-1-3-5-17/h1-5,13-16H,6-12H2,(H2,23,24,25,26,27)