4-[5-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-2H-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[5-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-2H-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid CAS Name: 4-[5-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-2H-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(4-benzylpiperazino)-5-phenyl-2H-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2N(N=C(S2)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CCC1C2N(N=C(S2)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H32N4O2S/c31-26(32)23-13-11-22(12-14-23)25-30(27-24(33-25)21-9-5-2-6-10-21)29-17-15-28(16-18-29)19-20-7-3-1-4-8-20/h1-10,22-23,25H,11-19H2,(H,31,32)