N-[4-[(4-acetamido-3-chloranyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(4-acetamido-3-chloranyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(4-acetamido-3-chloro-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(4-acetamido-3-chloroanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(4-acetamido-3-chlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(4-acetamido-3-chloro-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H18ClFN4O2S MolecularWeight: 456.920323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H18ClFN4O2S/c1-13(29)25-20-11-10-16(12-18(20)23)28-22(31)27-15-8-6-14(7-9-15)26-21(30)17-4-2-3-5-19(17)24/h2-12H,1H3,(H,25,29)(H,26,30)(H2,27,28,31)