ethyl 4-[(3,5-dimethylphenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3,5-dimethylphenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3,5-dimethylphenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(3,5-dimethylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dimethylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3,5-dimethylphenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C16H23N3O2S/c1-4-21-16(20)19-7-5-18(6-8-19)15(22)17-14-10-12(2)9-13(3)11-14/h9-11H,4-8H2,1-3H3,(H,17,22)