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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-bromo-2-fluorophenyl)propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C22H19BrFN3OS2 MolecularWeight: 504.438163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrFN3OS2/c1-14(21(28)27-20-12-7-15(23)13-19(20)24)30-18-10-8-17(9-11-18)26-22(29)25-16-5-3-2-4-6-16/h2-14H,1H3,(H,27,28)(H2,25,26,29)