methyl 5-[1-[(4-tert-butylphenyl)methylcarbamothioylamino]ethyl]-2-(methylsulfonylamino)benzoate

Systemtic Name: methyl 5-[1-[(4-tert-butylphenyl)methylcarbamothioylamino]ethyl]-2-(methylsulfonylamino)benzoate Openeye Name: methyl 5-[1-[(4-tert-butylphenyl)methylcarbamothioylamino]ethyl]-2-(methanesulfonamido)benzoate CAS Name: 5-[1-[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]ethyl]-2-(methanesulfonamido)benzoic acid methyl ester IUPAC Name: methyl 5-[1-[(4-tert-butylphenyl)methylcarbamothioylamino]ethyl]-2-(methanesulfonamido)benzoate Traditional Name: 5-[1-[(4-tert-butylbenzyl)thiocarbamoylamino]ethyl]-2-(methanesulfonamido)benzoic acid methyl ester Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S2/c1-15(17-9-12-20(26-32(6,28)29)19(13-17)21(27)30-5)25-22(31)24-14-16-7-10-18(11-8-16)23(2,3)4/h7-13,15,26H,14H2,1-6H3,(H2,24,25,31)