2-(1-adamantyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-(mesitylthiocarbamoyl)acetamide Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2OS/c1-13-4-14(2)20(15(3)5-13)24-21(26)23-19(25)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h4-5,16-18H,6-12H2,1-3H3,(H2,23,24,25,26)