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

Systemtic Name: ethyl 4-[4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-[(3-chlorobenzyl)thio]acetyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H30ClN3O4S MolecularWeight: 455.9986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN3O4S/c1-2-29-21(28)25-11-8-18(9-12-25)24-19(26)7-4-10-23-20(27)15-30-14-16-5-3-6-17(22)13-16/h3,5-6,13,18H,2,4,7-12,14-15H2,1H3,(H,23,27)(H,24,26)