ethyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O4S MolecularWeight: 387.88158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C16H22ClN3O4S/c1-4-24-16(21)20-7-5-19(6-8-20)15(25)18-12-10-13(22-2)11(17)9-14(12)23-3/h9-10H,4-8H2,1-3H3,(H,18,25)