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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)Br

InChI

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