2-[2-[(5-bromanyl-2-fluoranyl-phenyl)-pyrrolidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide

Systemtic Name: 2-[2-[(5-bromanyl-2-fluoranyl-phenyl)-pyrrolidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide Openeye Name: 2-[2-[(5-bromo-2-fluoro-phenyl)-pyrrolidin-1-yl-methyl]pyrrol-1-yl]benzenecarbothioamide CAS Name: 2-[2-[(5-bromo-2-fluorophenyl)-(1-pyrrolidinyl)methyl]-1-pyrrolyl]benzenecarbothioamide IUPAC Name: 2-[2-[(5-bromo-2-fluorophenyl)-pyrrolidin-1-ylmethyl]pyrrol-1-yl]benzenecarbothioamide Traditional Name: 2-[2-[(5-bromo-2-fluoro-phenyl)-pyrrolidino-methyl]pyrrol-1-yl]thiobenzamide Formula: C22H21BrFN3S MolecularWeight: 458.389643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C2=CC=CN2C3=CC=CC=C3C(=S)N)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CCN(C1)C(C2=CC=CN2C3=CC=CC=C3C(=S)N)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C22H21BrFN3S/c23-15-9-10-18(24)17(14-15)21(26-11-3-4-12-26)20-8-5-13-27(20)19-7-2-1-6-16(19)22(25)28/h1-2,5-10,13-14,21H,3-4,11-12H2,(H2,25,28)