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

Systemtic Name: O-[(4-tert-butylphenyl)methyl] N-[[4-(methylsulfonylamino)phenyl]methyl]carbamothioate Openeye Name: O-[(4-tert-butylphenyl)methyl] N-[[4-(methanesulfonamido)phenyl]methyl]carbamothioate CAS Name: N-[[4-(methanesulfonamido)phenyl]methyl]carbamothioic acid O-[(4-tert-butylphenyl)methyl] ester IUPAC Name: O-[(4-tert-butylphenyl)methyl] N-[[4-(methanesulfonamido)phenyl]methyl]carbamothioate Traditional Name: N-[4-(methanesulfonamido)benzyl]thiocarbamic acid O-(4-tert-butylbenzyl) ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-20(2,3)17-9-5-16(6-10-17)14-25-19(26)21-13-15-7-11-18(12-8-15)22-27(4,23)24/h5-12,22H,13-14H2,1-4H3,(H,21,26)