tert-butyl 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-piperonylpiperazine-1-carbonyl)thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H34N4O5S MolecularWeight: 514.63696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H34N4O5S/c1-26(2,3)35-25(32)30-8-6-19(7-9-30)23-27-20(16-36-23)24(31)29-12-10-28(11-13-29)15-18-4-5-21-22(14-18)34-17-33-21/h4-5,14,16,19H,6-13,15,17H2,1-3H3