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

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H24N4O3S/c33-26(31-28-30-21-11-4-5-12-24(21)36-28)18-8-6-7-17(15-18)25-29-22-16-19(27(34)35)13-14-23(22)32(25)20-9-2-1-3-10-20/h4-8,11-16,20H,1-3,9-10H2,(H,34,35)(H,30,31,33)