ethyl 4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylcarbamoylamino]piperidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylcarbamoylamino]piperidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[2-(tert-butoxycarbonylamino)ethylsulfanylcarbamoylamino]-1-piperidyl]benzoate CAS Name: 4-[4-[[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]amino]-oxomethyl]amino]-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylcarbamoylamino]piperidin-1-yl]benzoate Traditional Name: 4-[4-[[2-(tert-butoxycarbonylamino)ethylthio]carbamoylamino]piperidino]benzoic acid ethyl ester Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCC(CC2)NC(=O)NSCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCC(CC2)NC(=O)NSCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O5S/c1-5-30-19(27)16-6-8-18(9-7-16)26-13-10-17(11-14-26)24-20(28)25-32-15-12-23-21(29)31-22(2,3)4/h6-9,17H,5,10-15H2,1-4H3,(H,23,29)(H2,24,25,28)