1-[2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-tert-butyl-thiourea

Systemtic Name: 1-[2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-tert-butyl-thiourea Openeye Name: 1-tert-butyl-3-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[2-[(2,5-difluorophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-[(2,5-difluorophenyl)thio]acetyl]amino]thiourea Formula: C13H17F2N3OS2 MolecularWeight: 333.420386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CSC1=C(C=CC(=C1)F)F

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CSC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C13H17F2N3OS2/c1-13(2,3)16-12(20)18-17-11(19)7-21-10-6-8(14)4-5-9(10)15/h4-6H,7H2,1-3H3,(H,17,19)(H2,16,18,20)