ethyl 4-[(2,6-diethylphenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2,6-diethylphenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2,6-diethylphenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(2,6-diethylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-diethylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2,6-diethylphenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-4-14-8-7-9-15(5-2)16(14)19-17(24)20-10-12-21(13-11-20)18(22)23-6-3/h7-9H,4-6,10-13H2,1-3H3,(H,19,24)