(2-bromanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: (2-bromanyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: [2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [2-bromo-6-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid [2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C33H26BrN3O4S MolecularWeight: 640.54624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H26BrN3O4S/c1-39-28-20-24(32(42)37-14-16-40-17-15-37)18-25(34)31(28)41-33(38)23-12-13-26-27(19-23)36-30(22-10-6-3-7-11-22)29(35-26)21-8-4-2-5-9-21/h2-13,18-20H,14-17H2,1H3