N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c27-20(14-31-19-12-10-18(11-13-19)26(29)30)24-25-22(32)23-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27)(H2,23,25,28,32)