(phenylmethyl) 4-(2-iodanylpiperazin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-iodanylpiperazin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: benzyl 4-(2-iodopiperazin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-iodo-1-piperazinyl)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-iodopiperazin-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-iodopiperazino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H27IN4O3S MolecularWeight: 530.42285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)I)C2CC(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)N4CCSC4

Isomeric SMILES

C1CN(C(CN1)I)C2CC(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)N4CCSC4

InChI

InChI=1S/C20H27IN4O3S/c21-18-11-22-6-7-24(18)16-10-17(19(26)23-8-9-29-14-23)25(12-16)20(27)28-13-15-4-2-1-3-5-15/h1-5,16-18,22H,6-14H2