5-(5-bromanyl-2-fluoranyl-phenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-yl-benzenecarbothioamide

Systemtic Name: 5-(5-bromanyl-2-fluoranyl-phenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-yl-benzenecarbothioamide Openeye Name: 5-(5-bromo-2-fluoro-phenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-yl-benzenecarbothioamide CAS Name: 5-(5-bromo-2-fluorophenyl)-3-methyl-4-(1-pyrrolidinyl)-2-(1-pyrrolyl)benzenecarbothioamide IUPAC Name: 5-(5-bromo-2-fluorophenyl)-3-methyl-4-pyrrolidin-1-yl-2-pyrrol-1-ylbenzenecarbothioamide Traditional Name: 5-(5-bromo-2-fluoro-phenyl)-3-methyl-4-pyrrolidino-2-pyrrol-1-yl-thiobenzamide Formula: C22H21BrFN3S MolecularWeight: 458.389643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1N2C=CC=C2)C(=S)N)C3=C(C=CC(=C3)Br)F)N4CCCC4

Isomeric SMILES

CC1=C(C(=CC(=C1N2C=CC=C2)C(=S)N)C3=C(C=CC(=C3)Br)F)N4CCCC4

InChI

InChI=1S/C22H21BrFN3S/c1-14-20(26-8-2-3-9-26)17(16-12-15(23)6-7-19(16)24)13-18(22(25)28)21(14)27-10-4-5-11-27/h4-7,10-13H,2-3,8-9H2,1H3,(H2,25,28)