2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[4-[(2,5-dimethylphenyl)methyl]-1-piperazinyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[4-(2,5-dimethylbenzyl)piperazino]thiazole-4-carboxylic acid Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2CCN(CC2)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2CCN(CC2)C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C17H21N3O2S/c1-12-3-4-13(2)14(9-12)10-19-5-7-20(8-6-19)17-18-15(11-23-17)16(21)22/h3-4,9,11H,5-8,10H2,1-2H3,(H,21,22)