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

Systemtic Name: N-[4-[[3-chloranyl-4-(2-pyrrolidin-1-ylethanoylamino)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-chloro-4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-chloro-4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-[(2-pyrrolidinoacetyl)amino]phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C26H25ClFN5O2S MolecularWeight: 526.025403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C26H25ClFN5O2S/c27-21-15-19(11-12-23(21)32-24(34)16-33-13-3-4-14-33)31-26(36)30-18-9-7-17(8-10-18)29-25(35)20-5-1-2-6-22(20)28/h1-2,5-12,15H,3-4,13-14,16H2,(H,29,35)(H,32,34)(H2,30,31,36)