2-[[6-[(dimethylcarbamothioylamino)methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]amino]ethynyl dihydrogen phosphate

Systemtic Name: 2-[[6-[(dimethylcarbamothioylamino)methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]amino]ethynyl dihydrogen phosphate Openeye Name: 2-[[6-[(dimethylcarbamothioylamino)methyl]-2-thioxo-1,3-dihydrobenzimidazol-4-yl]amino]ethynyl dihydrogen phosphate CAS Name: 2-[[6-[[[dimethylamino(sulfanylidene)methyl]amino]methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]amino]ethynyl dihydrogen phosphate IUPAC Name: 2-[[6-[(dimethylcarbamothioylamino)methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]amino]ethynyl dihydrogen phosphate Traditional Name: 2-[[6-[(dimethylthiocarbamoylamino)methyl]-2-thioxo-1,3-dihydrobenzimidazol-4-yl]amino]ethynyl dihydrogen phosphate Formula: C13H16N5O4PS2 MolecularWeight: 401.401001

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)NCC1=CC2=C(C(=C1)NC#COP(=O)(O)O)NC(=S)N2

Isomeric SMILES

CN(C)C(=S)NCC1=CC2=C(C(=C1)NC#COP(=O)(O)O)NC(=S)N2

InChI

InChI=1S/C13H16N5O4PS2/c1-18(2)13(25)15-7-8-5-9(14-3-4-22-23(19,20)21)11-10(6-8)16-12(24)17-11/h5-6,14H,7H2,1-2H3,(H,15,25)(H2,16,17,24)(H2,19,20,21)