[6-[(dimethylcarbamothioylamino)methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]methylphosphonic acid

Systemtic Name: [6-[(dimethylcarbamothioylamino)methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]methylphosphonic acid Openeye Name: [6-[(dimethylcarbamothioylamino)methyl]-2-thioxo-1,3-dihydrobenzimidazol-4-yl]methylphosphonic acid CAS Name: [6-[[[dimethylamino(sulfanylidene)methyl]amino]methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]methylphosphonic acid IUPAC Name: [6-[(dimethylcarbamothioylamino)methyl]-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl]methylphosphonic acid Traditional Name: [6-[(dimethylthiocarbamoylamino)methyl]-2-thioxo-1,3-dihydrobenzimidazol-4-yl]methylphosphonic acid Formula: C12H17N4O3PS2 MolecularWeight: 360.392141

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)NCC1=CC(=C2C(=C1)NC(=S)N2)CP(=O)(O)O

Isomeric SMILES

CN(C)C(=S)NCC1=CC(=C2C(=C1)NC(=S)N2)CP(=O)(O)O

InChI

InChI=1S/C12H17N4O3PS2/c1-16(2)12(22)13-5-7-3-8(6-20(17,18)19)10-9(4-7)14-11(21)15-10/h3-4H,5-6H2,1-2H3,(H,13,22)(H2,14,15,21)(H2,17,18,19)