2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]-1-cyclopentyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H22N4O3S/c32-25(30-27-29-20-10-3-4-11-23(20)35-27)17-7-5-6-16(14-17)24-28-21-15-18(26(33)34)12-13-22(21)31(24)19-8-1-2-9-19/h3-7,10-15,19H,1-2,8-9H2,(H,33,34)(H,29,30,32)