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

Systemtic Name: prop-2-ynyl 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 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 prop-2-ynyl ester IUPAC Name: prop-2-ynyl 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 propargyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O5S/c1-2-13-32-25(31)29-7-5-19(6-8-29)23-26-20(16-35-23)24(30)28-11-9-27(10-12-28)15-18-3-4-21-22(14-18)34-17-33-21/h1,3-4,14,16,19H,5-13,15,17H2