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

Systemtic Name: 4-ethoxy-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-3-17(26)23-19(31)21-13-6-8-14(9-7-13)22-20(32)24-18(27)12-5-10-16(30-4-2)15(11-12)25(28)29/h5-11H,3-4H2,1-2H3,(H2,21,23,26,31)(H2,22,24,27,32)