N-[4-[(3-azanyl-5-chloranyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-azanyl-5-chloranyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-amino-5-chloro-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-amino-5-chloroanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-amino-5-chlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-amino-5-chloro-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C20H16ClFN4OS MolecularWeight: 414.883643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC(=C3)N)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC(=C3)N)Cl)F

InChI

InChI=1S/C20H16ClFN4OS/c21-12-9-13(23)11-16(10-12)26-20(28)25-15-7-5-14(6-8-15)24-19(27)17-3-1-2-4-18(17)22/h1-11H,23H2,(H,24,27)(H2,25,26,28)