ethyl 6-chloranyl-2-[[(6-chloranyl-3-ethoxycarbonyl-4-phenyl-quinolin-2-yl)methylcarbamothioylamino]methyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-2-[[(6-chloranyl-3-ethoxycarbonyl-4-phenyl-quinolin-2-yl)methylcarbamothioylamino]methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-2-[[(6-chloro-3-ethoxycarbonyl-4-phenyl-2-quinolyl)methylcarbamothioylamino]methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[[[(6-chloro-3-ethoxycarbonyl-4-phenyl-2-quinolinyl)methylamino]-sulfanylidenemethyl]amino]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-2-[[(6-chloro-3-ethoxycarbonyl-4-phenylquinolin-2-yl)methylcarbamothioylamino]methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(3-carbethoxy-6-chloro-4-phenyl-2-quinolyl)methylthiocarbamoylamino]methyl]-6-chloro-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C39H32Cl2N4O4S MolecularWeight: 723.66678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)CNC(=S)NCC4=C(C(=C5C=C(C=CC5=N4)Cl)C6=CC=CC=C6)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)CNC(=S)NCC4=C(C(=C5C=C(C=CC5=N4)Cl)C6=CC=CC=C6)C(=O)OCC

InChI

InChI=1S/C39H32Cl2N4O4S/c1-3-48-37(46)35-31(44-29-17-15-25(40)19-27(29)33(35)23-11-7-5-8-12-23)21-42-39(50)43-22-32-36(38(47)49-4-2)34(24-13-9-6-10-14-24)28-20-26(41)16-18-30(28)45-32/h5-20H,3-4,21-22H2,1-2H3,(H2,42,43,50)