(4-nitrophenyl) N-[[2-[(4-nitrophenoxy)carbonylcarbamothioylamino]phenyl]carbamothioyl]carbamate

Systemtic Name: (4-nitrophenyl) N-[[2-[(4-nitrophenoxy)carbonylcarbamothioylamino]phenyl]carbamothioyl]carbamate Openeye Name: (4-nitrophenyl) N-[[2-[(4-nitrophenoxy)carbonylcarbamothioylamino]phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[[[(4-nitrophenoxy)-oxomethyl]amino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[[2-[(4-nitrophenoxy)carbonylcarbamothioylamino]phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[(4-nitrophenoxy)carbonylthiocarbamoylamino]phenyl]thiocarbamoyl]carbamic acid (4-nitrophenyl) ester Formula: C22H16N6O8S2 MolecularWeight: 556.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O8S2/c29-21(35-15-9-5-13(6-10-15)27(31)32)25-19(37)23-17-3-1-2-4-18(17)24-20(38)26-22(30)36-16-11-7-14(8-12-16)28(33)34/h1-12H,(H2,23,25,29,37)(H2,24,26,30,38)