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

Systemtic Name: methyl 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methylsulfonylamino)benzoate Openeye Name: methyl 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)benzoate CAS Name: 5-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-(methanesulfonamido)benzoic acid methyl ester IUPAC Name: methyl 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)benzoate Traditional Name: 5-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-(methanesulfonamido)benzoic acid methyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S2/c1-22(2,3)17-9-6-15(7-10-17)13-23-21(30)24-14-16-8-11-19(25-31(5,27)28)18(12-16)20(26)29-4/h6-12,25H,13-14H2,1-5H3,(H2,23,24,30)