5-bromanyl-2-methoxy-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[(2-methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(2-methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)thiocarbamoyl]benzamide Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C22H17BrN4O3S/c1-12-5-6-13(21-26-19-18(30-21)4-3-9-24-19)10-16(12)25-22(31)27-20(28)15-11-14(23)7-8-17(15)29-2/h3-11H,1-2H3,(H2,25,27,28,31)