4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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