2-fluoranyl-N-[4-(1H-indazol-5-ylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-(1H-indazol-5-ylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-fluoro-N-[4-(1H-indazol-5-ylcarbamothioylamino)phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[(1H-indazol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-(1H-indazol-5-ylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-fluoro-N-[4-(1H-indazol-5-ylthiocarbamoylamino)phenyl]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=C(C=C2)NC(=S)NC3=CC4=C(C=C3)NN=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)NN=C4)F

InChI

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