2-[4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[4-(dipropylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(dipropylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]acetic acid Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C21H27N3O4S2/c1-3-13-24(14-4-2)30(27,28)19-11-9-18(10-12-19)23-21(29)22-17-7-5-16(6-8-17)15-20(25)26/h5-12H,3-4,13-15H2,1-2H3,(H,25,26)(H2,22,23,29)