1-[4-(2-chlorophenyl)-6-ethyl-quinolin-3-yl]-3-(6-methylsulfanylisoquinolin-5-yl)urea

Systemtic Name: 1-[4-(2-chlorophenyl)-6-ethyl-quinolin-3-yl]-3-(6-methylsulfanylisoquinolin-5-yl)urea Openeye Name: 1-[4-(2-chlorophenyl)-6-ethyl-3-quinolyl]-3-(6-methylsulfanyl-5-isoquinolyl)urea CAS Name: 1-[4-(2-chlorophenyl)-6-ethyl-3-quinolinyl]-3-[6-(methylthio)-5-isoquinolinyl]urea IUPAC Name: 1-[4-(2-chlorophenyl)-6-ethylquinolin-3-yl]-3-(6-methylsulfanylisoquinolin-5-yl)urea Traditional Name: 1-[4-(2-chlorophenyl)-6-ethyl-3-quinolyl]-3-[6-(methylthio)-5-isoquinolyl]urea Formula: C28H23ClN4OS MolecularWeight: 499.02642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)NC(=O)NC3=C(C=CC4=C3C=CN=C4)SC)C5=CC=CC=C5Cl

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)NC(=O)NC3=C(C=CC4=C3C=CN=C4)SC)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H23ClN4OS/c1-3-17-8-10-23-21(14-17)26(20-6-4-5-7-22(20)29)24(16-31-23)32-28(34)33-27-19-12-13-30-15-18(19)9-11-25(27)35-2/h4-16H,3H2,1-2H3,(H2,32,33,34)