N-[(2,4,6-trimethylphenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(2,4,6-trimethylphenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2,4,6-trimethylphenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]-1-adamantanecarboxamide IUPAC Name: N-[(2,4,6-trimethylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-(mesitylthiocarbamoyl)adamantane-1-carboxamide Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H28N2OS/c1-12-4-13(2)18(14(3)5-12)22-20(25)23-19(24)21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,15-17H,6-11H2,1-3H3,(H2,22,23,24,25)