[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H22N4O3S/c1-3-21(24(31)30-26-29-19-6-4-5-7-22(19)34-26)33-25(32)17-12-13-18-20(14-17)28-23(27-18)16-10-8-15(2)9-11-16/h4-14,21H,3H2,1-2H3,(H,27,28)(H,29,30,31)