2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide

Systemtic Name: 2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide Openeye Name: 2-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide CAS Name: 2-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-propenamide IUPAC Name: 2-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide Traditional Name: 2-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]-N-[3-(2-ketopyrrolidino)propyl]acrylamide Formula: C22H22BrClN2O2S MolecularWeight: 493.84428

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)SC2=CC=CC=C2Br)Cl)C(=O)NCCCN3CCCC3=O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)SC2=CC=CC=C2Br)Cl)C(=O)NCCCN3CCCC3=O

InChI

InChI=1S/C22H22BrClN2O2S/c1-15(22(28)25-11-5-13-26-12-4-8-21(26)27)16-9-10-20(18(24)14-16)29-19-7-3-2-6-17(19)23/h2-3,6-7,9-10,14H,1,4-5,8,11-13H2,(H,25,28)