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

Systemtic Name: ethyl 4-[(3-ethoxycarbonylphenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonylphenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3-carbethoxyphenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-3-23-15(21)13-6-5-7-14(12-13)18-16(25)19-8-10-20(11-9-19)17(22)24-4-2/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,25)