[5-tert-butyl-2-[[[4-(methylsulfonylamino)phenyl]methylcarbamothioylamino]methyl]phenyl]methyl ethanoate

Systemtic Name: [5-tert-butyl-2-[[[4-(methylsulfonylamino)phenyl]methylcarbamothioylamino]methyl]phenyl]methyl ethanoate Openeye Name: [5-tert-butyl-2-[[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]methyl]phenyl]methyl acetate CAS Name: acetic acid [5-tert-butyl-2-[[[[[4-(methanesulfonamido)phenyl]methylamino]-sulfanylidenemethyl]amino]methyl]phenyl]methyl ester IUPAC Name: [5-tert-butyl-2-[[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]methyl]phenyl]methyl acetate Traditional Name: acetic acid [5-tert-butyl-2-[[[4-(methanesulfonamido)benzyl]thiocarbamoylamino]methyl]benzyl] ester Formula: C23H31N3O4S2 MolecularWeight: 477.63994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C23H31N3O4S2/c1-16(27)30-15-19-12-20(23(2,3)4)9-8-18(19)14-25-22(31)24-13-17-6-10-21(11-7-17)26-32(5,28)29/h6-12,26H,13-15H2,1-5H3,(H2,24,25,31)