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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4Br)Cl

InChI

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