N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S2/c1-3-29-16-9-4-12(10-15(16)24(27)28)17(26)23-19(31)22-14-7-5-13(6-8-14)21-18(30)20-11(2)25/h4-10H,3H2,1-2H3,(H2,20,21,25,30)(H2,22,23,26,31)