1-(4-butylphenyl)-3-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-[(2-chloro-4-fluorophenyl)methylthio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-[(2-chloro-4-fluoro-benzyl)thio]acetyl]amino]thiourea Formula: C20H23ClFN3OS2 MolecularWeight: 439.997523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C20H23ClFN3OS2/c1-2-3-4-14-5-9-17(10-6-14)23-20(27)25-24-19(26)13-28-12-15-7-8-16(22)11-18(15)21/h5-11H,2-4,12-13H2,1H3,(H,24,26)(H2,23,25,27)