2-[2-(3-azanyl-5-phenyl-thiophen-2-yl)quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-(3-azanyl-5-phenyl-thiophen-2-yl)quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(3-amino-5-phenyl-2-thienyl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-(3-amino-5-phenyl-2-thiophenyl)-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-(3-amino-5-phenylthiophen-2-yl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-(3-amino-5-phenyl-2-thienyl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C33H28N4O2S MolecularWeight: 544.66602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=C(S6)C7=CC=CC=C7)N

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=C(S6)C7=CC=CC=C7)N

InChI

InChI=1S/C33H28N4O2S/c34-25-19-30(20-7-3-1-4-8-20)40-31(25)27-15-11-21-17-22(12-14-26(21)35-27)32-36-28-18-23(33(38)39)13-16-29(28)37(32)24-9-5-2-6-10-24/h1,3-4,7-8,11-19,24H,2,5-6,9-10,34H2,(H,38,39)