5-bromanyl-2-chloranyl-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C22H15BrClN3O3S MolecularWeight: 516.7948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C22H15BrClN3O3S/c1-29-15-6-8-19-18(11-15)26-21(30-19)12-3-2-4-14(9-12)25-22(31)27-20(28)16-10-13(23)5-7-17(16)24/h2-11H,1H3,(H2,25,27,28,31)