piperidin-1-yl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylcarbamoylamino]benzoate

Systemtic Name: piperidin-1-yl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylcarbamoylamino]benzoate Openeye Name: 1-piperidyl 3-[2-(tert-butoxycarbonylamino)ethylsulfanylcarbamoylamino]benzoate CAS Name: 3-[[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]amino]-oxomethyl]amino]benzoic acid 1-piperidinyl ester IUPAC Name: piperidin-1-yl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylcarbamoylamino]benzoate Traditional Name: 3-[[2-(tert-butoxycarbonylamino)ethylthio]carbamoylamino]benzoic acid piperidino ester Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSNC(=O)NC1=CC=CC(=C1)C(=O)ON2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCSNC(=O)NC1=CC=CC(=C1)C(=O)ON2CCCCC2

InChI

InChI=1S/C20H30N4O5S/c1-20(2,3)28-19(27)21-10-13-30-23-18(26)22-16-9-7-8-15(14-16)17(25)29-24-11-5-4-6-12-24/h7-9,14H,4-6,10-13H2,1-3H3,(H,21,27)(H2,22,23,26)