1-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]thiourea

Systemtic Name: 1-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]thiourea Openeye Name: 1-[4-(trifluoromethylsulfonyl)phenyl]-3-(1,2,2-trimethylpropyl)thiourea CAS Name: 1-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]thiourea Traditional Name: 1-(4-triflylphenyl)-3-(1,2,2-trimethylpropyl)thiourea Formula: C14H19F3N2O2S2 MolecularWeight: 368.43807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C(C)(C)C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H19F3N2O2S2/c1-9(13(2,3)4)18-12(22)19-10-5-7-11(8-6-10)23(20,21)14(15,16)17/h5-9H,1-4H3,(H2,18,19,22)