2-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(4-nitrophenyl)thiocarbamoylamino]phenyl]acetic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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