S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 5-bromanylpyridine-3-carbothioate

Systemtic Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 5-bromanylpyridine-3-carbothioate Openeye Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 5-bromopyridine-3-carbothioate CAS Name: 5-bromo-3-pyridinecarbothioic acid S-[[[4-(1H-benzimidazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 5-bromopyridine-3-carbothioate Traditional Name: 5-bromopyridine-3-carbothioic acid S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] ester Formula: C20H14BrN5O2S MolecularWeight: 468.32646

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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(=CN=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN5O2S/c21-14-9-13(10-22-11-14)19(27)29-26-20(28)23-15-7-5-12(6-8-15)18-24-16-3-1-2-4-17(16)25-18/h1-11H,(H,24,25)(H2,23,26,28)