[2-[(4-tert-butylphenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(4-tert-butylphenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [2-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(4-tert-butylphenyl)methyl]-3-[[[[4-(methanesulfonamido)phenyl]methylamino]-sulfanylidenemethyl]amino]propyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(4-tert-butylbenzyl)-3-[[4-(methanesulfonamido)benzyl]thiocarbamoylamino]propyl] ester Formula: C28H41N3O4S2 MolecularWeight: 547.77284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O4S2/c1-27(2,3)23-12-8-20(9-13-23)16-22(19-35-25(32)28(4,5)6)18-30-26(36)29-17-21-10-14-24(15-11-21)31-37(7,33)34/h8-15,22,31H,16-19H2,1-7H3,(H2,29,30,36)