N-[4-(2,2-diphosphonatoethanethioylamino)phenyl]ethanamide

Systemtic Name: N-[4-(2,2-diphosphonatoethanethioylamino)phenyl]ethanamide Openeye Name: N-[4-[(2,2-diphosphonatoethanethioyl)amino]phenyl]acetamide CAS Name: N-[4-[(2,2-diphosphonato-1-sulfanylideneethyl)amino]phenyl]acetamide IUPAC Name: N-[4-[(2,2-diphosphonatoethanethioyl)amino]phenyl]acetamide Traditional Name: N-[4-[(2,2-diphosphonatothioacetyl)amino]phenyl]acetamide Formula: C10H10N2O7P2S-4 MolecularWeight: 364.208122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C10H14N2O7P2S/c1-6(13)11-7-2-4-8(5-3-7)12-9(22)10(20(14,15)16)21(17,18)19/h2-5,10H,1H3,(H,11,13)(H,12,22)(H2,14,15,16)(H2,17,18,19)/p-4