1-[(4-butylphenyl)methyl]-3-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-butylphenyl)methyl]-3-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-butylbenzyl)-3-[3-fluoro-4-(methanesulfonamido)benzyl]thiourea Formula: C20H26FN3O2S2 MolecularWeight: 423.567743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

InChI

InChI=1S/C20H26FN3O2S2/c1-3-4-5-15-6-8-16(9-7-15)13-22-20(27)23-14-17-10-11-19(18(21)12-17)24-28(2,25)26/h6-12,24H,3-5,13-14H2,1-2H3,(H2,22,23,27)