N-[5-[2-(3-ethyl-6,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide

Systemtic Name: N-[5-[2-(3-ethyl-6,7-dimethyl-quinolin-2-yl)sulfanylethanoylamino]-2-methyl-phenyl]propanamide Openeye Name: N-[5-[[2-[(3-ethyl-6,7-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[5-[[2-[(3-ethyl-6,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[5-[[2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[5-[[2-[(3-ethyl-6,7-dimethyl-2-quinolyl)thio]acetyl]amino]-2-methyl-phenyl]propionamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S/c1-6-18-12-19-10-16(4)17(5)11-22(19)28-25(18)31-14-24(30)26-20-9-8-15(3)21(13-20)27-23(29)7-2/h8-13H,6-7,14H2,1-5H3,(H,26,30)(H,27,29)