ethyl 4-[[4-[2-(4-methylsulfanylphenyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(4-methylsulfanylphenyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(4-methylsulfanylphenyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-[4-(methylthio)phenyl]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(4-methylsulfanylphenyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-[4-(methylthio)phenyl]acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H34N4O4S MolecularWeight: 462.60546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H34N4O4S/c1-3-31-22(30)27-14-8-18(9-15-27)25-21(29)23(10-12-24-13-11-23)26-20(28)16-17-4-6-19(32-2)7-5-17/h4-7,18,24H,3,8-16H2,1-2H3,(H,25,29)(H,26,28)