4-[[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-(dipropylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(dipropylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic 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)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=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)22-15-16-5-7-17(8-6-16)20(25)26/h5-12H,3-4,13-15H2,1-2H3,(H,25,26)(H2,22,23,29)