cyclohexyl 1-(3-azanylpropyl)-2-(thiophen-2-ylcarbonylamino)benzimidazole-5-carboxylate

Systemtic Name: cyclohexyl 1-(3-azanylpropyl)-2-(thiophen-2-ylcarbonylamino)benzimidazole-5-carboxylate Openeye Name: cyclohexyl 1-(3-aminopropyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxylate CAS Name: 1-(3-aminopropyl)-2-[[oxo(thiophen-2-yl)methyl]amino]-5-benzimidazolecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 1-(3-aminopropyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxylate Traditional Name: 1-(3-aminopropyl)-2-(2-thenoylamino)benzimidazole-5-carboxylic acid cyclohexyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CS4)CCCN

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CS4)CCCN

InChI

InChI=1S/C22H26N4O3S/c23-11-5-12-26-18-10-9-15(21(28)29-16-6-2-1-3-7-16)14-17(18)24-22(26)25-20(27)19-8-4-13-30-19/h4,8-10,13-14,16H,1-3,5-7,11-12,23H2,(H,24,25,27)