4-[1-[5-(tert-butylcarbamothioylamino)pyridin-2-yl]oxycarbonylpiperidin-4-yl]oxybenzoic acid

Systemtic Name: 4-[1-[5-(tert-butylcarbamothioylamino)pyridin-2-yl]oxycarbonylpiperidin-4-yl]oxybenzoic acid Openeye Name: 4-[[1-[[5-(tert-butylcarbamothioylamino)-2-pyridyl]oxycarbonyl]-4-piperidyl]oxy]benzoic acid CAS Name: 4-[[1-[[5-[[(tert-butylamino)-sulfanylidenemethyl]amino]-2-pyridinyl]oxy-oxomethyl]-4-piperidinyl]oxy]benzoic acid IUPAC Name: 4-[1-[5-(tert-butylcarbamothioylamino)pyridin-2-yl]oxycarbonylpiperidin-4-yl]oxybenzoic acid Traditional Name: 4-[[1-[[5-(tert-butylthiocarbamoylamino)-2-pyridyl]oxycarbonyl]-4-piperidyl]oxy]benzoic acid Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC1=CN=C(C=C1)OC(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=S)NC1=CN=C(C=C1)OC(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H28N4O5S/c1-23(2,3)26-21(33)25-16-6-9-19(24-14-16)32-22(30)27-12-10-18(11-13-27)31-17-7-4-15(5-8-17)20(28)29/h4-9,14,18H,10-13H2,1-3H3,(H,28,29)(H2,25,26,33)