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

Systemtic Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-N-methoxy-2-(methylsulfonylamino)benzamide Openeye Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)-N-methoxy-benzamide CAS Name: 5-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-(methanesulfonamido)-N-methoxybenzamide IUPAC Name: 5-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-(methanesulfonamido)-N-methoxybenzamide Traditional Name: 5-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-(methanesulfonamido)-N-methoxy-benzamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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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)NOC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S2/c1-22(2,3)17-9-6-15(7-10-17)13-23-21(31)24-14-16-8-11-19(26-32(5,28)29)18(12-16)20(27)25-30-4/h6-12,26H,13-14H2,1-5H3,(H,25,27)(H2,23,24,31)