N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-5-bromo-nicotinamide Formula: C20H13BrN4O2S MolecularWeight: 453.31182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C20H13BrN4O2S/c21-14-9-13(10-22-11-14)18(26)25-20(28)23-15-7-5-12(6-8-15)19-24-16-3-1-2-4-17(16)27-19/h1-11H,(H2,23,25,26,28)