4-methoxy-3-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-16(23)19-12-5-4-6-13(10-12)20-18(28)21-17(24)11-7-8-15(27-2)14(9-11)22(25)26/h4-10H,3H2,1-2H3,(H,19,23)(H2,20,21,24,28)