butyl 4-(2-quinolin-8-ylsulfanylethanoylamino)benzoate

Systemtic Name: butyl 4-(2-quinolin-8-ylsulfanylethanoylamino)benzoate Openeye Name: butyl 4-[[2-(8-quinolylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(8-quinolinylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-quinolin-8-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(8-quinolylthio)acetyl]amino]benzoic acid butyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3

InChI

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