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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

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