[2-[1-[4-(methylsulfonylamino)phenyl]ethylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[1-[4-(methylsulfonylamino)phenyl]ethylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [2-[1-[4-(methanesulfonamido)phenyl]ethylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[[1-[4-(methanesulfonamido)phenyl]ethylamino]-sulfanylidenemethyl]amino]-3-phenylpropyl] ester IUPAC Name: [2-[1-[4-(methanesulfonamido)phenyl]ethylcarbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[1-[4-(methanesulfonamido)phenyl]ethylthiocarbamoylamino]-3-phenyl-propyl] ester Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NS(=O)(=O)C)NC(=S)NC(CC2=CC=CC=C2)COC(=O)C(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)NS(=O)(=O)C)NC(=S)NC(CC2=CC=CC=C2)COC(=O)C(C)(C)C

InChI

InChI=1S/C24H33N3O4S2/c1-17(19-11-13-20(14-12-19)27-33(5,29)30)25-23(32)26-21(15-18-9-7-6-8-10-18)16-31-22(28)24(2,3)4/h6-14,17,21,27H,15-16H2,1-5H3,(H2,25,26,32)