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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C16H23N3O2S/c1-3-13-6-5-7-14(12-13)17-15(22)18-8-10-19(11-9-18)16(20)21-4-2/h5-7,12H,3-4,8-11H2,1-2H3,(H,17,22)