2-[[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(3-nitrobenzoyl)carbamothioylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(3-nitrobenzoyl)carbamothioylamino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(3-nitrobenzoyl)thiocarbamoylamino]benzoyl]amino]acetic acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O6S/c22-14(23)9-18-15(24)10-4-6-12(7-5-10)19-17(28)20-16(25)11-2-1-3-13(8-11)21(26)27/h1-8H,9H2,(H,18,24)(H,22,23)(H2,19,20,25,28)