N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C24H23ClFN3OS2 MolecularWeight: 488.040323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C24H23ClFN3OS2/c1-3-22(23(30)27-18-11-12-21(26)20(25)14-18)32-19-6-4-5-17(13-19)29-24(31)28-16-9-7-15(2)8-10-16/h4-14,22H,3H2,1-2H3,(H,27,30)(H2,28,29,31)