ethyl 4-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[(4-chlorophenyl)-phenylmethyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[(4-chlorophenyl)-phenyl-methyl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-2-29-23(28)26-14-12-20(13-15-26)25-21(27)16-30-22(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h3-11,20,22H,2,12-16H2,1H3,(H,25,27)