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

Systemtic Name: [2-[[4-(methylsulfonylamino)phenyl]methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [2-[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[[[4-(methanesulfonamido)phenyl]methylamino]-sulfanylidenemethyl]amino]-3-phenylpropyl] ester IUPAC Name: [2-[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[4-(methanesulfonamido)benzyl]thiocarbamoylamino]-3-phenyl-propyl] ester Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)NC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)NC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C23H31N3O4S2/c1-23(2,3)21(27)30-16-20(14-17-8-6-5-7-9-17)25-22(31)24-15-18-10-12-19(13-11-18)26-32(4,28)29/h5-13,20,26H,14-16H2,1-4H3,(H2,24,25,31)