N-(4-acetamidophenyl)-2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-ethyl-amino]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-ethyl-amino]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl-ethyl-amino]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl-ethylamino]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-ethylamino]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[2-chloro-7-(methylthio)-3-quinolyl]methyl-ethyl-amino]acetamide Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H25ClN4O2S/c1-4-28(14-22(30)26-19-8-6-18(7-9-19)25-15(2)29)13-17-11-16-5-10-20(31-3)12-21(16)27-23(17)24/h5-12H,4,13-14H2,1-3H3,(H,25,29)(H,26,30)