[1-[[2,3-di(propan-2-yl)phenyl]-propan-2-yl-amino]-3-methyl-2-phosphono-1-sulfanylidene-butan-2-yl]phosphonic acid

Systemtic Name: [1-[[2,3-di(propan-2-yl)phenyl]-propan-2-yl-amino]-3-methyl-2-phosphono-1-sulfanylidene-butan-2-yl]phosphonic acid Openeye Name: [1-[(2,3-diisopropylphenyl)-isopropyl-carbamothioyl]-2-methyl-1-phosphono-propyl]phosphonic acid CAS Name: [3-methyl-2-phosphono-1-sulfanylidene-1-[N,2,3-tri(propan-2-yl)anilino]butan-2-yl]phosphonic acid IUPAC Name: [3-methyl-2-phosphono-1-sulfanylidene-1-[N,2,3-tri(propan-2-yl)anilino]butan-2-yl]phosphonic acid Traditional Name: [1-[(2,3-diisopropylphenyl)-isopropyl-thiocarbamoyl]-2-methyl-1-phosphono-propyl]phosphonic acid Formula: C20H35NO6P2S MolecularWeight: 479.507522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35NO6P2S/c1-12(2)16-10-9-11-17(18(16)13(3)4)21(15(7)8)19(30)20(14(5)6,28(22,23)24)29(25,26)27/h9-15H,1-8H3,(H2,22,23,24)(H2,25,26,27)