5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methylsulfonylamino)benzoyl chloride

Systemtic Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methylsulfonylamino)benzoyl chloride Openeye Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)benzoyl chloride CAS Name: 5-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-(methanesulfonamido)benzoyl chloride IUPAC Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)benzoyl chloride Traditional Name: 5-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-(methanesulfonamido)benzoyl chloride Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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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)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)C(=O)Cl

InChI

InChI=1S/C21H26ClN3O3S2/c1-21(2,3)16-8-5-14(6-9-16)12-23-20(29)24-13-15-7-10-18(25-30(4,27)28)17(11-15)19(22)26/h5-11,25H,12-13H2,1-4H3,(H2,23,24,29)