ethyl 4-[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-(m-tolylmethylsulfanyl)acetyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-[(3-methylbenzyl)thio]acetyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSCC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSCC2=CC=CC(=C2)C

InChI

InChI=1S/C22H33N3O4S/c1-3-29-22(28)25-12-9-19(10-13-25)24-20(26)8-5-11-23-21(27)16-30-15-18-7-4-6-17(2)14-18/h4,6-7,14,19H,3,5,8-13,15-16H2,1-2H3,(H,23,27)(H,24,26)