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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-3-6-18(25)21-14-7-5-8-15(12-14)22-20(30)23-19(26)13-9-10-17(29-4-2)16(11-13)24(27)28/h5,7-12H,3-4,6H2,1-2H3,(H,21,25)(H2,22,23,26,30)