tert-butyl 4-[[4-[3-chloranyl-4-(2-phenylethanoylsulfanylcarbamoylamino)phenoxy]pyridin-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[3-chloranyl-4-(2-phenylethanoylsulfanylcarbamoylamino)phenoxy]pyridin-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[3-chloro-4-[(2-phenylacetyl)sulfanylcarbamoylamino]phenoxy]-2-pyridyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[4-[3-chloro-4-[[oxo-[[(1-oxo-2-phenylethyl)thio]amino]methyl]amino]phenoxy]-2-pyridinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[3-chloro-4-[(2-phenylacetyl)sulfanylcarbamoylamino]phenoxy]pyridin-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[3-chloro-4-[[(2-phenylacetyl)thio]carbamoylamino]phenoxy]-2-pyridyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H34ClN5O6S MolecularWeight: 640.14956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C31H34ClN5O6S/c1-31(2,3)43-30(41)37-15-12-21(13-16-37)28(39)35-26-19-23(11-14-33-26)42-22-9-10-25(24(32)18-22)34-29(40)36-44-27(38)17-20-7-5-4-6-8-20/h4-11,14,18-19,21H,12-13,15-17H2,1-3H3,(H,33,35,39)(H2,34,36,40)