tert-butyl N-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]carbamate CAS Name: N-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]carbamate Traditional Name: N-[4-[2-(4-quinolylthio)acetyl]phenyl]carbamic acid tert-butyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=NC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC=NC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O3S/c1-22(2,3)27-21(26)24-16-10-8-15(9-11-16)19(25)14-28-20-12-13-23-18-7-5-4-6-17(18)20/h4-13H,14H2,1-3H3,(H,24,26)