2-(4-tert-butylphenyl)-4-piperazin-1-yl-thieno[3,2-c]pyridine-7-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-4-piperazin-1-yl-thieno[3,2-c]pyridine-7-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-4-piperazin-1-yl-thieno[3,2-c]pyridine-7-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-4-(1-piperazinyl)-7-thieno[3,2-c]pyridinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-4-piperazin-1-ylthieno[3,2-c]pyridine-7-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-4-piperazino-thieno[3,2-c]pyridine-7-carboxylic acid Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(S2)C(=CN=C3N4CCNCC4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(S2)C(=CN=C3N4CCNCC4)C(=O)O

InChI

InChI=1S/C22H25N3O2S/c1-22(2,3)15-6-4-14(5-7-15)18-12-16-19(28-18)17(21(26)27)13-24-20(16)25-10-8-23-9-11-25/h4-7,12-13,23H,8-11H2,1-3H3,(H,26,27)