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

Systemtic Name: 4-nitro-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c27-20(13-15-5-2-1-3-6-15)23-17-7-4-8-18(14-17)24-22(31)25-21(28)16-9-11-19(12-10-16)26(29)30/h1-12,14H,13H2,(H,23,27)(H2,24,25,28,31)