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

Systemtic Name: N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C24H19N5O5S MolecularWeight: 489.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H19N5O5S/c1-15-20(3-2-4-21(15)29(32)33)23(31)26-24(35)28-27-22(30)14-34-19-11-9-18(10-12-19)17-7-5-16(13-25)6-8-17/h2-12H,14H2,1H3,(H,27,30)(H2,26,28,31,35)