4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(3-nitroanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-nitrophenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3-nitrophenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13N3O4S/c19-14(20)11-6-4-10(5-7-11)9-16-15(23)17-12-2-1-3-13(8-12)18(21)22/h1-8H,9H2,(H,19,20)(H2,16,17,23)