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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-3-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-ethylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-ethylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-ethylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-ethylbenzyl)-3-[3-fluoro-4-(methanesulfonamido)benzyl]thiourea Formula: C18H22FN3O2S2 MolecularWeight: 395.514583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F

InChI

InChI=1S/C18H22FN3O2S2/c1-3-13-4-6-14(7-5-13)11-20-18(25)21-12-15-8-9-17(16(19)10-15)22-26(2,23)24/h4-10,22H,3,11-12H2,1-2H3,(H2,20,21,25)