N-[4-[[3-chloranyl-2-(2-piperidin-1-ylethanoylamino)phenyl]sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[3-chloranyl-2-(2-piperidin-1-ylethanoylamino)phenyl]sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-chloro-2-[[2-(1-piperidyl)acetyl]amino]phenyl]sulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[[3-chloro-2-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]thio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-chloro-2-[(2-piperidin-1-ylacetyl)amino]phenyl]sulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[[3-chloro-2-[(2-piperidinoacetyl)amino]phenyl]thio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C27H27ClFN5O3S MolecularWeight: 556.051383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)NC2=C(C=CC=C2Cl)SNC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=C(C=CC=C2Cl)SNC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H27ClFN5O3S/c28-21-8-6-10-23(25(21)32-24(35)17-34-15-4-1-5-16-34)38-33-27(37)31-19-13-11-18(12-14-19)30-26(36)20-7-2-3-9-22(20)29/h2-3,6-14H,1,4-5,15-17H2,(H,30,36)(H,32,35)(H2,31,33,37)