1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]-3-(4-fluorophenyl)thiourea Formula: C22H28FN3O2S MolecularWeight: 417.540023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NNC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C22H28FN3O2S/c1-21(2,3)16-11-13(12-17(18(16)27)22(4,5)6)19(28)25-26-20(29)24-15-9-7-14(23)8-10-15/h7-12,27H,1-6H3,(H,25,28)(H2,24,26,29)