5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methylsulfonylamino)-N-oxidanyl-benzamide

Systemtic Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methylsulfonylamino)-N-oxidanyl-benzamide Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-(hydroxycarbamoyl)-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 5-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-N-hydroxy-2-(methanesulfonamido)benzamide IUPAC Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-N-hydroxy-2-(methanesulfonamido)benzamide Traditional Name: 1-(4-tert-butylbenzyl)-3-[3-(hydroxycarbamoyl)-4-(methanesulfonamido)benzyl]thiourea Formula: C21H28N4O4S2 MolecularWeight: 464.60142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)C(=O)NO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)C(=O)NO

InChI

InChI=1S/C21H28N4O4S2/c1-21(2,3)16-8-5-14(6-9-16)12-22-20(30)23-13-15-7-10-18(25-31(4,28)29)17(11-15)19(26)24-27/h5-11,25,27H,12-13H2,1-4H3,(H,24,26)(H2,22,23,30)