N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C24H19N5O6S MolecularWeight: 505.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O6S/c1-34-21-11-8-18(12-20(21)29(32)33)23(31)26-24(36)28-27-22(30)14-35-19-9-6-17(7-10-19)16-4-2-15(13-25)3-5-16/h2-12H,14H2,1H3,(H,27,30)(H2,26,28,31,36)