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

Systemtic Name: N-[4-[[3-chloranyl-4-(2-piperidin-1-ylethanoylamino)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-chloro-4-[[2-(1-piperidyl)acetyl]amino]phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-[[1-oxo-2-(1-piperidinyl)ethyl]amino]anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-[(2-piperidinoacetyl)amino]phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C27H27ClFN5O2S MolecularWeight: 540.051983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)Cl

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)Cl

InChI

InChI=1S/C27H27ClFN5O2S/c28-22-16-20(12-13-24(22)33-25(35)17-34-14-4-1-5-15-34)32-27(37)31-19-10-8-18(9-11-19)30-26(36)21-6-2-3-7-23(21)29/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,30,36)(H,33,35)(H2,31,32,37)