2-(1-adamantyl)-N-[(4-methylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-methylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-(p-tolylcarbamothioyl)acetamide CAS Name: 2-(1-adamantyl)-N-[(4-methylanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-methylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-(p-tolylthiocarbamoyl)acetamide Formula: C20H26N2OS MolecularWeight: 342.49824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2OS/c1-13-2-4-17(5-3-13)21-19(24)22-18(23)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3,(H2,21,22,23,24)