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

Systemtic Name: 3-bromanyl-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-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(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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