[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[[4-(4-bromophenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br)OC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H17BrN4O3S/c1-2-19(30-21(29)17-11-24-15-5-3-4-6-16(15)25-17)20(28)27-22-26-18(12-31-22)13-7-9-14(23)10-8-13/h3-12,19H,2H2,1H3,(H,26,27,28)