1-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-3-[(2-methylphenyl)methyl]thiourea

Systemtic Name: 1-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-3-[(2-methylphenyl)methyl]thiourea Openeye Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(o-tolylmethyl)thiourea CAS Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(2-methylphenyl)methyl]thiourea IUPAC Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[(2-methylphenyl)methyl]thiourea Traditional Name: 1-[3-fluoro-4-(methanesulfonamido)benzyl]-3-(2-methylbenzyl)thiourea Formula: C17H20FN3O2S2 MolecularWeight: 381.488003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

Isomeric SMILES

CC1=CC=CC=C1CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

InChI

InChI=1S/C17H20FN3O2S2/c1-12-5-3-4-6-14(12)11-20-17(24)19-10-13-7-8-16(15(18)9-13)21-25(2,22)23/h3-9,21H,10-11H2,1-2H3,(H2,19,20,24)