4-[(4-nitrophenyl)carbamothioylamino]benzamide

Systemtic Name: 4-[(4-nitrophenyl)carbamothioylamino]benzamide Openeye Name: 4-[(4-nitrophenyl)carbamothioylamino]benzamide CAS Name: 4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[(4-nitrophenyl)carbamothioylamino]benzamide Traditional Name: 4-[(4-nitrophenyl)thiocarbamoylamino]benzamide Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O3S/c15-13(19)9-1-3-10(4-2-9)16-14(22)17-11-5-7-12(8-6-11)18(20)21/h1-8H,(H2,15,19)(H2,16,17,22)