N-[2-methoxy-4-[2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[2-methoxy-4-[2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[2-methoxy-4-[[2-[(3,5,7-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]phenyl]propanamide CAS Name: N-[2-methoxy-4-[[1-oxo-2-[(3,5,7-trimethyl-2-quinolinyl)thio]ethyl]amino]phenyl]propanamide IUPAC Name: N-[2-methoxy-4-[[2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]phenyl]propanamide Traditional Name: N-[2-methoxy-4-[[2-[(3,5,7-trimethyl-2-quinolyl)thio]acetyl]amino]phenyl]propionamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C3C(=CC(=CC3=N2)C)C)C)OC

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C3C(=CC(=CC3=N2)C)C)C)OC

InChI

InChI=1S/C24H27N3O3S/c1-6-22(28)26-19-8-7-17(12-21(19)30-5)25-23(29)13-31-24-16(4)11-18-15(3)9-14(2)10-20(18)27-24/h7-12H,6,13H2,1-5H3,(H,25,29)(H,26,28)