cycloheptylmethyl 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-(propanoylamino)benzimidazole-5-carboxylate

Systemtic Name: cycloheptylmethyl 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-(propanoylamino)benzimidazole-5-carboxylate Openeye Name: cycloheptylmethyl 1-(4,5-dihydrothiazol-2-yl)-2-(propanoylamino)benzimidazole-5-carboxylate CAS Name: 1-(4,5-dihydrothiazol-2-yl)-2-(1-oxopropylamino)-5-benzimidazolecarboxylic acid cycloheptylmethyl ester IUPAC Name: cycloheptylmethyl 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-(propanoylamino)benzimidazole-5-carboxylate Traditional Name: 2-propionamido-1-(2-thiazolin-2-yl)benzimidazole-5-carboxylic acid cycloheptylmethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(N1C3=NCCS3)C=CC(=C2)C(=O)OCC4CCCCCC4

Isomeric SMILES

CCC(=O)NC1=NC2=C(N1C3=NCCS3)C=CC(=C2)C(=O)OCC4CCCCCC4

InChI

InChI=1S/C22H28N4O3S/c1-2-19(27)25-21-24-17-13-16(9-10-18(17)26(21)22-23-11-12-30-22)20(28)29-14-15-7-5-3-4-6-8-15/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,24,25,27)