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

Systemtic Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H14BrN3O2S MolecularWeight: 452.32376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O2S/c22-15-8-6-14(7-9-15)20-24-17-12-16(10-11-18(17)27-20)23-21(28)25-19(26)13-4-2-1-3-5-13/h1-12H,(H2,23,25,26,28)