3-chloranyl-4-ethoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[(4-oxazolo[4,5-b]pyridin-2-ylphenyl)carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[4-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[(4-oxazolo[4,5-b]pyridin-2-ylphenyl)thiocarbamoyl]benzamide Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4)Cl

InChI

InChI=1S/C22H17ClN4O3S/c1-2-29-17-10-7-14(12-16(17)23)20(28)27-22(31)25-15-8-5-13(6-9-15)21-26-19-18(30-21)4-3-11-24-19/h3-12H,2H2,1H3,(H2,25,27,28,31)