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

Systemtic Name: propan-2-yl 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methylsulfonylamino)benzoate Openeye Name: isopropyl 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)benzoate CAS Name: 5-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-(methanesulfonamido)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)benzoate Traditional Name: 5-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-(methanesulfonamido)benzoic acid isopropyl ester Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4S2/c1-16(2)31-22(28)20-13-18(9-12-21(20)27-33(6,29)30)15-26-23(32)25-14-17-7-10-19(11-8-17)24(3,4)5/h7-13,16,27H,14-15H2,1-6H3,(H2,25,26,32)