O-[[3-methoxy-4-(methylsulfonylamino)phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate

Systemtic Name: O-[[3-methoxy-4-(methylsulfonylamino)phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate Openeye Name: O-[[4-(methanesulfonamido)-3-methoxy-phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate CAS Name: N-[(4-tert-butylphenyl)methyl]carbamothioic acid O-[[4-(methanesulfonamido)-3-methoxyphenyl]methyl] ester IUPAC Name: O-[[4-(methanesulfonamido)-3-methoxyphenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate Traditional Name: N-(4-tert-butylbenzyl)thiocarbamic acid O-[4-(methanesulfonamido)-3-methoxy-benzyl] ester Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)OCC2=CC(=C(C=C2)NS(=O)(=O)C)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)OCC2=CC(=C(C=C2)NS(=O)(=O)C)OC

InChI

InChI=1S/C21H28N2O4S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)27-14-16-8-11-18(19(12-16)26-4)23-29(5,24)25/h6-12,23H,13-14H2,1-5H3,(H,22,28)