1-(butanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(butanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(butanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1-oxobutylamino)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(butanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-butyramido-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C12H14F3N3OS MolecularWeight: 305.31927

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CCCC(=O)NNC(=S)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H14F3N3OS/c1-2-4-10(19)17-18-11(20)16-9-6-3-5-8(7-9)12(13,14)15/h3,5-7H,2,4H2,1H3,(H,17,19)(H2,16,18,20)