4-[[[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-[(2-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21N3O5S2/c1-30-20-5-3-2-4-19(20)25-32(28,29)18-12-10-17(11-13-18)24-22(31)23-14-15-6-8-16(9-7-15)21(26)27/h2-13,25H,14H2,1H3,(H,26,27)(H2,23,24,31)