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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[2-(p-tolylmethylsulfanyl)acetyl]amino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[2-[(4-methylbenzyl)thio]acetyl]amino]thiourea Formula: C17H17ClFN3OS2 MolecularWeight: 397.917783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H17ClFN3OS2/c1-11-2-4-12(5-3-11)9-25-10-16(23)21-22-17(24)20-13-6-7-15(19)14(18)8-13/h2-8H,9-10H2,1H3,(H,21,23)(H2,20,22,24)