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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

InChI

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