[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [1-[[4-(4-bromophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C33H23BrN4O3S MolecularWeight: 635.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H23BrN4O3S/c1-20(31(39)38-33-37-28(19-42-33)21-12-15-25(34)16-13-21)41-32(40)24-14-17-26-27(18-24)36-30(23-10-6-3-7-11-23)29(35-26)22-8-4-2-5-9-22/h2-20H,1H3,(H,37,38,39)