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

Systemtic Name: 5-bromanyl-N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C20H12BrClN4O2S MolecularWeight: 487.75688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C20H12BrClN4O2S/c21-13-7-12(9-23-10-13)18(27)26-20(29)24-15-4-1-11(2-5-15)19-25-16-8-14(22)3-6-17(16)28-19/h1-10H,(H2,24,26,27,29)