N-[2-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluoro-benzamide CAS Name: N-[2-[[(3H-benzimidazol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluorobenzamide Traditional Name: N-[2-(3H-benzimidazol-5-ylthiocarbamoylamino)phenyl]-2-fluoro-benzamide Formula: C21H16FN5OS MolecularWeight: 405.448043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=S)NC3=CC4=C(C=C3)N=CN4)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=S)NC3=CC4=C(C=C3)N=CN4)F

InChI

InChI=1S/C21H16FN5OS/c22-15-6-2-1-5-14(15)20(28)26-17-7-3-4-8-18(17)27-21(29)25-13-9-10-16-19(11-13)24-12-23-16/h1-12H,(H,23,24)(H,26,28)(H2,25,27,29)