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

Systemtic Name: 5-bromanyl-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C21H15BrN4O2S MolecularWeight: 467.3384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C21H15BrN4O2S/c1-12-5-6-18-17(7-12)25-20(28-18)13-3-2-4-16(9-13)24-21(29)26-19(27)14-8-15(22)11-23-10-14/h2-11H,1H3,(H2,24,26,27,29)