[(phenylcarbamothioylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(phenylcarbamothioylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(phenylcarbamothioylamino)-phosphono-methyl]phosphonic acid CAS Name: [[[anilino(sulfanylidene)methyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [(phenylcarbamothioylamino)-phosphonomethyl]phosphonic acid Traditional Name: [(phenylthiocarbamoylamino)-phosphono-methyl]phosphonic acid Formula: C8H12N2O6P2S MolecularWeight: 326.203202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H12N2O6P2S/c11-17(12,13)8(18(14,15)16)10-7(19)9-6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,19)(H2,11,12,13)(H2,14,15,16)