[2-[(3,4-dimethylphenyl)methyl]-3-[[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl-oxidanyl-carbamothioyl]amino]propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)methyl]-3-[[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl-oxidanyl-carbamothioyl]amino]propyl] 2,2-dimethylpropanoate Openeye Name: [2-[(3,4-dimethylphenyl)methyl]-3-[[[3-fluoro-4-(methanesulfonamido)phenyl]methyl-hydroxy-carbamothioyl]amino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(3,4-dimethylphenyl)methyl]-3-[[[[3-fluoro-4-(methanesulfonamido)phenyl]methyl-hydroxyamino]-sulfanylidenemethyl]amino]propyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)methyl]-3-[[[3-fluoro-4-(methanesulfonamido)phenyl]methyl-hydroxycarbamothioyl]amino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(3,4-dimethylbenzyl)-3-[[[3-fluoro-4-(methanesulfonamido)benzyl]-hydroxy-thiocarbamoyl]amino]propyl] ester Formula: C26H36FN3O5S2 MolecularWeight: 553.709543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(CNC(=S)N(CC2=CC(=C(C=C2)NS(=O)(=O)C)F)O)COC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(CNC(=S)N(CC2=CC(=C(C=C2)NS(=O)(=O)C)F)O)COC(=O)C(C)(C)C)C

InChI

InChI=1S/C26H36FN3O5S2/c1-17-7-8-19(11-18(17)2)12-21(16-35-24(31)26(3,4)5)14-28-25(36)30(32)15-20-9-10-23(22(27)13-20)29-37(6,33)34/h7-11,13,21,29,32H,12,14-16H2,1-6H3,(H,28,36)