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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Br

InChI

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