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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-4-fluorophenyl)butanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C23H21ClFN3OS2 MolecularWeight: 474.013743

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClFN3OS2/c1-2-21(22(29)26-17-11-12-20(25)19(24)14-17)31-18-10-6-9-16(13-18)28-23(30)27-15-7-4-3-5-8-15/h3-14,21H,2H2,1H3,(H,26,29)(H2,27,28,30)