3-(3H-benzimidazol-5-ylsulfanylcarbamoylamino)-2-fluoranyl-4-phenyl-benzamide

Systemtic Name: 3-(3H-benzimidazol-5-ylsulfanylcarbamoylamino)-2-fluoranyl-4-phenyl-benzamide Openeye Name: 3-(3H-benzimidazol-5-ylsulfanylcarbamoylamino)-2-fluoro-4-phenyl-benzamide CAS Name: 3-[[[(3H-benzimidazol-5-ylthio)amino]-oxomethyl]amino]-2-fluoro-4-phenylbenzamide IUPAC Name: 3-(3H-benzimidazol-5-ylsulfanylcarbamoylamino)-2-fluoro-4-phenylbenzamide Traditional Name: 3-[(3H-benzimidazol-5-ylthio)carbamoylamino]-2-fluoro-4-phenyl-benzamide Formula: C21H16FN5O2S MolecularWeight: 421.447443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)N)F)NC(=O)NSC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)N)F)NC(=O)NSC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H16FN5O2S/c22-18-15(20(23)28)8-7-14(12-4-2-1-3-5-12)19(18)26-21(29)27-30-13-6-9-16-17(10-13)25-11-24-16/h1-11H,(H2,23,28)(H,24,25)(H2,26,27,29)