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

Systemtic Name: 2-bromanyl-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H15BrClN3O2S MolecularWeight: 500.7954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C22H15BrClN3O2S/c23-17-4-2-1-3-16(17)21(28)27-22(30)25-15-9-10-19-18(12-15)26-20(29-19)11-13-5-7-14(24)8-6-13/h1-10,12H,11H2,(H2,25,27,28,30)