2-[2-[(4-nitrophenyl)carbonylcarbamothioylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(4-nitrophenyl)carbonylcarbamothioylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(4-nitrobenzoyl)carbamothioylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-nitrobenzoyl)carbamothioylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(4-nitrobenzoyl)thiocarbamoylamino]acetyl]amino]acetic acid Formula: C12H12N4O6S MolecularWeight: 340.31188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NCC(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NCC(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O6S/c17-9(13-6-10(18)19)5-14-12(23)15-11(20)7-1-3-8(4-2-7)16(21)22/h1-4H,5-6H2,(H,13,17)(H,18,19)(H2,14,15,20,23)