ethyl 1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-chloro-2-methoxy-5-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-chloro-2-methoxy-5-methyl-phenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H23ClN2O3S MolecularWeight: 370.89412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C(=C2)C)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C(=C2)C)Cl)OC

InChI

InChI=1S/C17H23ClN2O3S/c1-4-23-16(21)12-5-7-20(8-6-12)17(24)19-14-9-11(2)13(18)10-15(14)22-3/h9-10,12H,4-8H2,1-3H3,(H,19,24)