S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 2-fluoranylbenzenecarbothioate

Systemtic Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 2-fluoranylbenzenecarbothioate Openeye Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 2-fluorobenzenecarbothioate CAS Name: 2-fluorobenzenecarbothioic acid S-[[[4-(1H-benzimidazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 2-fluorobenzenecarbothioate Traditional Name: 2-fluorothiobenzoic acid S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] ester Formula: C21H15FN4O2S MolecularWeight: 406.432803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)F

InChI

InChI=1S/C21H15FN4O2S/c22-16-6-2-1-5-15(16)20(27)29-26-21(28)23-14-11-9-13(10-12-14)19-24-17-7-3-4-8-18(17)25-19/h1-12H,(H,24,25)(H2,23,26,28)