tert-butyl N-[2-bromanyl-4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]-N-pyrrolidin-3-yl-carbamate

Systemtic Name: tert-butyl N-[2-bromanyl-4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]-N-pyrrolidin-3-yl-carbamate Openeye Name: tert-butyl N-[2-bromo-4-[2-(4-quinolylsulfanyl)acetyl]phenyl]-N-pyrrolidin-3-yl-carbamate CAS Name: N-[2-bromo-4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-N-(3-pyrrolidinyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-bromo-4-(2-quinolin-4-ylsulfanylacetyl)phenyl]-N-pyrrolidin-3-ylcarbamate Traditional Name: N-[2-bromo-4-[2-(4-quinolylthio)acetyl]phenyl]-N-pyrrolidin-3-yl-carbamic acid tert-butyl ester Formula: C26H28BrN3O3S MolecularWeight: 542.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCNC1)C2=C(C=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)Br

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCNC1)C2=C(C=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)Br

InChI

InChI=1S/C26H28BrN3O3S/c1-26(2,3)33-25(32)30(18-10-12-28-15-18)22-9-8-17(14-20(22)27)23(31)16-34-24-11-13-29-21-7-5-4-6-19(21)24/h4-9,11,13-14,18,28H,10,12,15-16H2,1-3H3