1-[4-(2-chlorophenyl)-6-methyl-quinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea

Systemtic Name: 1-[4-(2-chlorophenyl)-6-methyl-quinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea Openeye Name: 1-[4-(2-chlorophenyl)-6-methyl-3-quinolyl]-3-(6-methylsulfanyl-5-quinolyl)urea CAS Name: 1-[4-(2-chlorophenyl)-6-methyl-3-quinolinyl]-3-[6-(methylthio)-5-quinolinyl]urea IUPAC Name: 1-[4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(6-methylsulfanylquinolin-5-yl)urea Traditional Name: 1-[4-(2-chlorophenyl)-6-methyl-3-quinolyl]-3-[6-(methylthio)-5-quinolyl]urea Formula: C27H21ClN4OS MolecularWeight: 484.99984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CN=C2C=C1)NC(=O)NC3=C(C=CC4=C3C=CC=N4)SC)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC2=C(C(=CN=C2C=C1)NC(=O)NC3=C(C=CC4=C3C=CC=N4)SC)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H21ClN4OS/c1-16-9-10-22-19(14-16)25(17-6-3-4-8-20(17)28)23(15-30-22)31-27(33)32-26-18-7-5-13-29-21(18)11-12-24(26)34-2/h3-15H,1-2H3,(H2,31,32,33)