ethyl 4-[(2-ethoxyphenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-ethoxyphenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-ethoxyphenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(2-ethoxyanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethoxyphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-(o-phenetylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C16H23N3O3S/c1-3-21-14-8-6-5-7-13(14)17-15(23)18-9-11-19(12-10-18)16(20)22-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,23)