2-(butylsulfonylamino)-3-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[(4-carbamothioylbenzoyl)carbamoylamino]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[[[[(4-carbamothioylphenyl)-oxomethyl]amino]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[(4-carbamothioylbenzoyl)carbamoylamino]phenyl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[4-[(4-thiocarbamoylbenzoyl)carbamoylamino]phenyl]propionic acid Formula: C22H26N4O6S2 MolecularWeight: 506.59504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N)C(=O)O

InChI

InChI=1S/C22H26N4O6S2/c1-2-3-12-34(31,32)26-18(21(28)29)13-14-4-10-17(11-5-14)24-22(30)25-20(27)16-8-6-15(7-9-16)19(23)33/h4-11,18,26H,2-3,12-13H2,1H3,(H2,23,33)(H,28,29)(H2,24,25,27,30)