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

Systemtic Name: 4-bromanyl-N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Br)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Br)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H13BrClN3O2S/c22-14-6-4-12(5-7-14)19(27)26-21(29)24-16-3-1-2-13(10-16)20-25-17-11-15(23)8-9-18(17)28-20/h1-11H,(H2,24,26,27,29)