ethyl 4-[4-[2-(4-methylphenyl)sulfanylethanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-(4-methylphenyl)sulfanylethanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-(p-tolylsulfanyl)acetyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-(p-tolylthio)acetyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C21H31N3O4S/c1-3-28-21(27)24-13-10-17(11-14-24)23-19(25)5-4-12-22-20(26)15-29-18-8-6-16(2)7-9-18/h6-9,17H,3-5,10-15H2,1-2H3,(H,22,26)(H,23,25)