3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[4-(2,6-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]-5-phenyl-2-thenoic acid Formula: C24H25N3O3S MolecularWeight: 435.5386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H25N3O3S/c1-16-7-6-8-17(2)21(16)26-11-13-27(14-12-26)24(30)25-19-15-20(31-22(19)23(28)29)18-9-4-3-5-10-18/h3-10,15H,11-14H2,1-2H3,(H,25,30)(H,28,29)