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

Systemtic Name: 1-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-3-[(4-phenylphenyl)methyl]thiourea Openeye Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(4-phenylphenyl)methyl]thiourea CAS Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(4-phenylphenyl)methyl]thiourea IUPAC Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(4-phenylphenyl)methyl]thiourea Traditional Name: 1-[3-fluoro-4-(methanesulfonamido)benzyl]-3-(4-phenylbenzyl)thiourea Formula: C22H22FN3O2S2 MolecularWeight: 443.557383

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C22H22FN3O2S2/c1-30(27,28)26-21-12-9-17(13-20(21)23)15-25-22(29)24-14-16-7-10-19(11-8-16)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(H2,24,25,29)