O-[3-[[(2-nitrophenyl)carbonylamino]carbamothioylamino]phenyl] methanethioate

Systemtic Name: O-[3-[[(2-nitrophenyl)carbonylamino]carbamothioylamino]phenyl] methanethioate Openeye Name: O-[3-[[(2-nitrobenzoyl)amino]carbamothioylamino]phenyl] methanethioate CAS Name: methanethioic acid O-[3-[[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: O-[3-[[(2-nitrobenzoyl)amino]carbamothioylamino]phenyl] methanethioate Traditional Name: methanethioic acid O-[3-[[(2-nitrobenzoyl)amino]thiocarbamoylamino]phenyl] ester Formula: C15H12N4O4S2 MolecularWeight: 376.41018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC(=CC=C2)OC=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC(=CC=C2)OC=S)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4S2/c20-14(12-6-1-2-7-13(12)19(21)22)17-18-15(25)16-10-4-3-5-11(8-10)23-9-24/h1-9H,(H,17,20)(H2,16,18,25)