[6-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-6-oxidanylidene-hexyl] 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate

Systemtic Name: [6-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-6-oxidanylidene-hexyl] 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate Openeye Name: [6-[2-(4-bromophenyl)-2-oxo-ethoxy]-6-oxo-hexyl] 2-thiazol-4-ylbenzimidazole-1-carboxylate CAS Name: 2-(4-thiazolyl)-1-benzimidazolecarboxylic acid [6-[2-(4-bromophenyl)-2-oxoethoxy]-6-oxohexyl] ester IUPAC Name: [6-[2-(4-bromophenyl)-2-oxoethoxy]-6-oxohexyl] 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate Traditional Name: 2-thiazol-4-ylbenzimidazole-1-carboxylic acid [6-[2-(4-bromophenyl)-2-keto-ethoxy]-6-keto-hexyl] ester Formula: C25H22BrN3O5S MolecularWeight: 556.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C(=O)OCCCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CSC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C(=O)OCCCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CSC=N4

InChI

InChI=1S/C25H22BrN3O5S/c26-18-11-9-17(10-12-18)22(30)14-34-23(31)8-2-1-5-13-33-25(32)29-21-7-4-3-6-19(21)28-24(29)20-15-35-16-27-20/h3-4,6-7,9-12,15-16H,1-2,5,8,13-14H2