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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-bromo-2-fluorophenyl)butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C23H21BrFN3OS2 MolecularWeight: 518.464743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrFN3OS2/c1-2-21(22(29)28-20-12-11-15(24)13-19(20)25)31-18-10-6-9-17(14-18)27-23(30)26-16-7-4-3-5-8-16/h3-14,21H,2H2,1H3,(H,28,29)(H2,26,27,30)