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

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C23H18BrN3O3S MolecularWeight: 496.37632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrN3O3S/c1-2-29-16-7-5-6-14(12-16)21(28)27-23(31)25-15-10-11-20-19(13-15)26-22(30-20)17-8-3-4-9-18(17)24/h3-13H,2H2,1H3,(H2,25,27,28,31)