1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]butan-2-yl-ethoxy-phosphinic acid

Systemtic Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]butan-2-yl-ethoxy-phosphinic acid Openeye Name: 1-[[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]methyl]propyl-ethoxy-phosphinic acid CAS Name: 1-[[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-1-oxopropyl]amino]butan-2-yl-ethoxyphosphinic acid IUPAC Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]butan-2-yl-ethoxyphosphinic acid Traditional Name: 1-[[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]methyl]propyl-ethoxy-phosphinic acid Formula: C22H28N3O4PS MolecularWeight: 461.514181

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC

Isomeric SMILES

CCC(CNC(=O)CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC

InChI

InChI=1S/C22H28N3O4PS/c1-3-18(30(27,28)29-4-2)15-23-21(26)14-11-16-9-12-17(13-10-16)24-22-25-19-7-5-6-8-20(19)31-22/h5-10,12-13,18H,3-4,11,14-15H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)