3-[(4-nitrophenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-[(4-nitrophenyl)carbamothioylamino]propanoic acid Openeye Name: 3-[(4-nitrophenyl)carbamothioylamino]propanoic acid CAS Name: 3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-nitrophenyl)carbamothioylamino]propanoic acid Traditional Name: 3-[(4-nitrophenyl)thiocarbamoylamino]propionic acid Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O4S/c14-9(15)5-6-11-10(18)12-7-1-3-8(4-2-7)13(16)17/h1-4H,5-6H2,(H,14,15)(H2,11,12,18)