N-[4-[2-(6-ethoxy-3-methyl-quinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[4-[2-(6-ethoxy-3-methyl-quinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[4-[[2-[(6-ethoxy-3-methyl-2-quinolyl)sulfanyl]acetyl]amino]phenyl]propanamide CAS Name: N-[4-[[2-[(6-ethoxy-3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[4-[[2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetyl]amino]phenyl]propanamide Traditional Name: N-[4-[[2-[(6-ethoxy-3-methyl-2-quinolyl)thio]acetyl]amino]phenyl]propionamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-4-21(27)24-17-6-8-18(9-7-17)25-22(28)14-30-23-15(3)12-16-13-19(29-5-2)10-11-20(16)26-23/h6-13H,4-5,14H2,1-3H3,(H,24,27)(H,25,28)