ethyl 4-[(3-cyanophenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-cyanophenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-cyanophenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(3-cyanoanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyanophenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3-cyanophenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S/c1-2-21-15(20)19-8-6-18(7-9-19)14(22)17-13-5-3-4-12(10-13)11-16/h3-5,10H,2,6-9H2,1H3,(H,17,22)