1-butyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]thiourea

Systemtic Name: 1-butyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]thiourea Openeye Name: 1-butyl-3-[(2,2,2-trifluoroacetyl)amino]thiourea CAS Name: 1-butyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]thiourea IUPAC Name: 1-butyl-3-[(2,2,2-trifluoroacetyl)amino]thiourea Traditional Name: 1-butyl-3-[(2,2,2-trifluoroacetyl)amino]thiourea Formula: C7H12F3N3OS MolecularWeight: 243.24989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C(F)(F)F

Isomeric SMILES

CCCCNC(=S)NNC(=O)C(F)(F)F

InChI

InChI=1S/C7H12F3N3OS/c1-2-3-4-11-6(15)13-12-5(14)7(8,9)10/h2-4H2,1H3,(H,12,14)(H2,11,13,15)