N-[4-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3H-benzimidazol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-(3H-benzimidazol-5-ylcarbamothioylamino)phenyl]-2-fluorobenzamide Traditional Name: N-[4-(3H-benzimidazol-5-ylthiocarbamoylamino)phenyl]-2-fluoro-benzamide Formula: C21H16FN5OS MolecularWeight: 405.448043

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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=CC4=C(C=C3)N=CN4)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)N=CN4)F

InChI

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