2-[4-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[4-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[4-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]thiazole-4-carboxylic acid CAS Name: 2-[4-[(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-(3-hydroxyphenyl)methyl]phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[4-[(4-allyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]thiazole-4-carboxylic acid Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NC(=CS3)C(=O)O)C4=CC(=CC=C4)O)C)CC=C

Isomeric SMILES

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NC(=CS3)C(=O)O)C4=CC(=CC=C4)O)C)CC=C

InChI

InChI=1S/C26H29N3O3S/c1-4-12-28-14-18(3)29(15-17(28)2)24(21-6-5-7-22(30)13-21)19-8-10-20(11-9-19)25-27-23(16-33-25)26(31)32/h4-11,13,16-18,24,30H,1,12,14-15H2,2-3H3,(H,31,32)