1-[(4-tert-butyl-2-propoxy-phenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-tert-butyl-2-propoxy-phenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butyl-2-propoxy-phenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butyl-2-propoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butyl-2-propoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butyl-2-propoxy-benzyl)-3-[4-(methanesulfonamido)benzyl]thiourea Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C23H33N3O3S2/c1-6-13-29-21-14-19(23(2,3)4)10-9-18(21)16-25-22(30)24-15-17-7-11-20(12-8-17)26-31(5,27)28/h7-12,14,26H,6,13,15-16H2,1-5H3,(H2,24,25,30)