ethyl 4-[[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(3-thienylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[2-(3-thiophenylmethylthio)anilino]methyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(3-thenylthio)phenyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2SCC3=CSC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2SCC3=CSC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-2-25-20(24)22-10-7-16(8-11-22)19(23)21-17-5-3-4-6-18(17)27-14-15-9-12-26-13-15/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,21,23)