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

Systemtic Name: 3-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[4-(6-methyl-2-pyridyl)piperazine-1-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[4-(6-methyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(6-methylpyridin-2-yl)piperazine-1-carbonyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[4-(6-methyl-2-pyridyl)piperazine-1-carbonyl]amino]-5-phenyl-2-thenoic acid Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-15-6-5-9-19(23-15)25-10-12-26(13-11-25)22(29)24-17-14-18(30-20(17)21(27)28)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,24,29)(H,27,28)