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

Systemtic Name: ethyl 4-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C18H25N3O6S/c1-5-27-18(23)21-8-6-20(7-9-21)17(28)19-13-11-15(25-3)14(24-2)10-12(13)16(22)26-4/h10-11H,5-9H2,1-4H3,(H,19,28)