N-[4-[(5-chloranyl-2-methoxy-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(5-chloranyl-2-methoxy-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(5-chloro-2-methoxy-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(5-chloro-2-methoxy-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(5-chloro-2-methoxy-4-methylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(5-chloro-2-methoxy-4-methyl-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3O2S MolecularWeight: 443.921563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)OC

InChI

InChI=1S/C22H19ClFN3O2S/c1-13-11-20(29-2)19(12-17(13)23)27-22(30)26-15-9-7-14(8-10-15)25-21(28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H,25,28)(H2,26,27,30)