(phenylmethyl) 4-[(2,6-dimethylphenyl)carbamoyl]-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2,6-dimethylphenyl)carbamoyl]-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: benzyl 4-[(2,6-dimethylphenyl)carbamoyl]-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(2,6-dimethylanilino)-oxomethyl]-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2,6-dimethylphenyl)carbamoyl]-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(2,6-dimethylphenyl)carbamoyl]-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H37N5O4S MolecularWeight: 551.70018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(CC(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)N4CCSC4)N5CCNCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(CC(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)N4CCSC4)N5CCNCC5

InChI

InChI=1S/C29H37N5O4S/c1-21-7-6-8-22(2)25(21)31-27(36)29(33-13-11-30-12-14-33)17-24(26(35)32-15-16-39-20-32)34(19-29)28(37)38-18-23-9-4-3-5-10-23/h3-10,24,30H,11-20H2,1-2H3,(H,31,36)