N-[2-[(2-bromophenyl)methylsulfanyl]phenyl]-1-[2-(4-methoxyphenyl)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[2-[(2-bromophenyl)methylsulfanyl]phenyl]-1-[2-(4-methoxyphenyl)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[2-[(2-bromophenyl)methylsulfanyl]phenyl]-1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[2-[(2-bromophenyl)methylthio]phenyl]-1-[2-(4-methoxyphenyl)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[(2-bromophenyl)methylsulfanyl]phenyl]-1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-[2-[(2-bromobenzyl)thio]phenyl]-1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide Formula: C27H27BrN2O3S MolecularWeight: 539.48388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCC2C(=O)NC3=CC=CC=C3SCC4=CC=CC=C4Br

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCC2C(=O)NC3=CC=CC=C3SCC4=CC=CC=C4Br

InChI

InChI=1S/C27H27BrN2O3S/c1-33-21-14-12-19(13-15-21)17-26(31)30-16-6-10-24(30)27(32)29-23-9-4-5-11-25(23)34-18-20-7-2-3-8-22(20)28/h2-5,7-9,11-15,24H,6,10,16-18H2,1H3,(H,29,32)