2-(5-chloranylthiophen-2-yl)-1-(piperidin-4-ylcarbamoyl)-2-propan-2-yl-3-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-1-(piperidin-4-ylcarbamoyl)-2-propan-2-yl-3-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 2-(5-chloro-2-thienyl)-2-isopropyl-1-(4-piperidylcarbamoyl)-3-(thiazol-5-ylmethyl)benzimidazole-5-carboxylic acid CAS Name: 2-(5-chloro-2-thiophenyl)-1-[oxo-(4-piperidinylamino)methyl]-2-propan-2-yl-3-(5-thiazolylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-(5-chlorothiophen-2-yl)-1-(piperidin-4-ylcarbamoyl)-2-propan-2-yl-3-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 2-(5-chloro-2-thienyl)-2-isopropyl-1-(4-piperidylcarbamoyl)-3-(thiazol-5-ylmethyl)benzimidazole-5-carboxylic acid Formula: C25H28ClN5O3S2 MolecularWeight: 546.10452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(N(C2=C(N1C(=O)NC3CCNCC3)C=CC(=C2)C(=O)O)CC4=CN=CS4)C5=CC=C(S5)Cl

Isomeric SMILES

CC(C)C1(N(C2=C(N1C(=O)NC3CCNCC3)C=CC(=C2)C(=O)O)CC4=CN=CS4)C5=CC=C(S5)Cl

InChI

InChI=1S/C25H28ClN5O3S2/c1-15(2)25(21-5-6-22(26)36-21)30(13-18-12-28-14-35-18)20-11-16(23(32)33)3-4-19(20)31(25)24(34)29-17-7-9-27-10-8-17/h3-6,11-12,14-15,17,27H,7-10,13H2,1-2H3,(H,29,34)(H,32,33)