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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]-phenyl-methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]-phenyl-methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]-phenylmethyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]-phenylmethyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[[3-fluoro-4-(methanesulfonamido)phenyl]-phenyl-methyl]thiourea Formula: C26H30FN3O2S2 MolecularWeight: 499.663703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC(C2=CC=CC=C2)C3=CC(=C(C=C3)NS(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC(C2=CC=CC=C2)C3=CC(=C(C=C3)NS(=O)(=O)C)F

InChI

InChI=1S/C26H30FN3O2S2/c1-26(2,3)21-13-10-18(11-14-21)17-28-25(33)29-24(19-8-6-5-7-9-19)20-12-15-23(22(27)16-20)30-34(4,31)32/h5-16,24,30H,17H2,1-4H3,(H2,28,29,33)