methyl 1-[[3,5-bis(chloranyl)phenyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3,5-bis(chloranyl)phenyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3,5-dichlorophenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3,5-dichloroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3,5-dichlorophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3,5-dichlorophenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C14H16Cl2N2O2S MolecularWeight: 347.26004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H16Cl2N2O2S/c1-20-13(19)9-2-4-18(5-3-9)14(21)17-12-7-10(15)6-11(16)8-12/h6-9H,2-5H2,1H3,(H,17,21)