[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic 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] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C20H15BrN4O3S MolecularWeight: 471.3271

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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=CN4

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br)OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C20H15BrN4O3S/c1-11(28-19(27)13-4-7-15-16(8-13)23-10-22-15)18(26)25-20-24-17(9-29-20)12-2-5-14(21)6-3-12/h2-11H,1H3,(H,22,23)(H,24,25,26)