2-(1-adamantyl)-N-[(3,4-dimethylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3,4-dimethylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3,4-dimethylphenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(3,4-dimethylanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3,4-dimethylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3,4-dimethylphenyl)thiocarbamoyl]acetamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c1-13-3-4-18(5-14(13)2)22-20(25)23-19(24)12-21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,15-17H,6-12H2,1-2H3,(H2,22,23,24,25)