4-[[[4-[di(propan-2-yl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[di(propan-2-yl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(diisopropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-[di(propan-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[di(propan-2-yl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(diisopropylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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