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

Systemtic Name: [1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-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] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C25H18BrN5O3S MolecularWeight: 548.41112

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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(N4)C5=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H18BrN5O3S/c1-14(23(32)31-25-30-21(13-35-25)15-4-7-18(26)8-5-15)34-24(33)16-6-9-19-20(11-16)29-22(28-19)17-3-2-10-27-12-17/h2-14H,1H3,(H,28,29)(H,30,31,32)