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

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C23H17BrN4O5S MolecularWeight: 541.37388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C23H17BrN4O5S/c1-2-32-20-9-7-13(11-18(20)28(30)31)21(29)27-23(34)25-14-8-10-19-17(12-14)26-22(33-19)15-5-3-4-6-16(15)24/h3-12H,2H2,1H3,(H2,25,27,29,34)