N-[4-[2-(3,6-dimethylquinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[4-[2-(3,6-dimethylquinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[4-[[2-[(3,6-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]phenyl]propanamide CAS Name: N-[4-[[2-[(3,6-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[4-[[2-(3,6-dimethylquinolin-2-yl)sulfanylacetyl]amino]phenyl]propanamide Traditional Name: N-[4-[[2-[(3,6-dimethyl-2-quinolyl)thio]acetyl]amino]phenyl]propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-4-20(26)23-17-6-8-18(9-7-17)24-21(27)13-28-22-15(3)12-16-11-14(2)5-10-19(16)25-22/h5-12H,4,13H2,1-3H3,(H,23,26)(H,24,27)