N-[5-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide

Systemtic Name: N-[5-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide Openeye Name: N-[5-[[2-[(3-ethyl-2-quinolyl)sulfanyl]acetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[5-[[2-[(3-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[5-[[2-(3-ethylquinolin-2-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[5-[[2-[(3-ethyl-2-quinolyl)thio]acetyl]amino]-2-methyl-phenyl]propionamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)NC(=O)CC

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)NC(=O)CC

InChI

InChI=1S/C23H25N3O2S/c1-4-16-12-17-8-6-7-9-19(17)26-23(16)29-14-22(28)24-18-11-10-15(3)20(13-18)25-21(27)5-2/h6-13H,4-5,14H2,1-3H3,(H,24,28)(H,25,27)