ethyl 1-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(2,4-dichlorophenoxy)butanoylcarbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2,4-dichlorophenoxy)butanoylcarbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H24Cl2N2O4S MolecularWeight: 447.37586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H24Cl2N2O4S/c1-2-26-18(25)13-7-9-23(10-8-13)19(28)22-17(24)4-3-11-27-16-6-5-14(20)12-15(16)21/h5-6,12-13H,2-4,7-11H2,1H3,(H,22,24,28)