[4-[[azanyl(oxidanyl)phosphoryl]oxycarbothioylamino]-2-methoxy-phenyl]carbamothioyloxyphosphonamidic acid

Systemtic Name: [4-[[azanyl(oxidanyl)phosphoryl]oxycarbothioylamino]-2-methoxy-phenyl]carbamothioyloxyphosphonamidic acid Openeye Name: [4-[[amino(hydroxy)phosphoryl]oxycarbothioylamino]-2-methoxy-phenyl]carbamothioyloxyphosphonamidic acid CAS Name: [[4-[[[amino(hydroxy)phosphoryl]oxy-sulfanylidenemethyl]amino]-2-methoxyanilino]-sulfanylidenemethoxy]phosphonamidic acid IUPAC Name: [4-[[amino(hydroxy)phosphoryl]oxycarbothioylamino]-2-methoxyphenyl]carbamothioyloxyphosphonamidic acid Traditional Name: [4-[[amino(hydroxy)phosphoryl]oxycarbothioylamino]-2-methoxy-phenyl]thiocarbamoyloxyphosphonamidic acid Formula: C9H14N4O7P2S2 MolecularWeight: 416.307582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)OP(=O)(N)O)NC(=S)OP(=O)(N)O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)OP(=O)(N)O)NC(=S)OP(=O)(N)O

InChI

InChI=1S/C9H14N4O7P2S2/c1-18-7-4-5(12-8(23)19-21(10,14)15)2-3-6(7)13-9(24)20-22(11,16)17/h2-4H,1H3,(H,12,23)(H,13,24)(H3,10,14,15)(H3,11,16,17)