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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)F

InChI

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