N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propionamide Formula: C23H21BrFN3O2S2 MolecularWeight: 534.464143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C23H21BrFN3O2S2/c1-14(22(29)27-19-11-10-15(24)12-18(19)25)32-17-7-5-6-16(13-17)26-23(31)28-20-8-3-4-9-21(20)30-2/h3-14H,1-2H3,(H,27,29)(H2,26,28,31)