3-oxidanyl-3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid

Systemtic Name: 3-oxidanyl-3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Openeye Name: 3-hydroxy-3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid CAS Name: 3-hydroxy-3-phenyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Traditional Name: 3-hydroxy-3-phenyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)O)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)O)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)O

InChI

InChI=1S/C17H19N3O5S2/c18-27(24,25)13-8-6-11(7-9-13)10-19-17(26)20-14(16(22)23)15(21)12-4-2-1-3-5-12/h1-9,14-15,21H,10H2,(H,22,23)(H2,18,24,25)(H2,19,20,26)