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

Systemtic Name: N-[2-[(4-azanyl-3-chloranyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[(4-amino-3-chloro-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-[[(4-amino-3-chloroanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-[(4-amino-3-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=CC=C2NC(=S)NC3=CC(=C(C=C3)N)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=S)NC3=CC(=C(C=C3)N)Cl)F

InChI

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