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

Systemtic Name: 1-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-benzyl-3-[3-fluoro-4-(methanesulfonamido)benzyl]thiourea Formula: C16H18FN3O2S2 MolecularWeight: 367.461423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O2S2/c1-24(21,22)20-15-8-7-13(9-14(15)17)11-19-16(23)18-10-12-5-3-2-4-6-12/h2-9,20H,10-11H2,1H3,(H2,18,19,23)