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

Systemtic Name: 4-[[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25N3O4S2/c25-20(26)16-8-6-15(7-9-16)14-22-21(29)23-17-10-12-19(13-11-17)30(27,28)24-18-4-2-1-3-5-18/h6-13,18,24H,1-5,14H2,(H,25,26)(H2,22,23,29)