1-(butanoylamino)-3-[2-chloranyl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(butanoylamino)-3-[2-chloranyl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(butanoylamino)-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-oxobutylamino)thiourea IUPAC Name: 1-(butanoylamino)-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-butyramido-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea Formula: C12H13ClF3N3OS MolecularWeight: 339.76433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClF3N3OS/c1-2-3-10(20)18-19-11(21)17-9-6-7(12(14,15)16)4-5-8(9)13/h4-6H,2-3H2,1H3,(H,18,20)(H2,17,19,21)