(phenylmethyl) 4-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]-3-(2-phenoxyethyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]-3-(2-phenoxyethyl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2-methyl-5-phenyl-thiazole-4-carbonyl)-3-(2-phenoxyethyl)piperazine-1-carboxylate CAS Name: 4-[(2-methyl-5-phenyl-4-thiazolyl)-oxomethyl]-3-(2-phenoxyethyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-3-(2-phenoxyethyl)piperazine-1-carboxylate Traditional Name: 4-(2-methyl-5-phenyl-thiazole-4-carbonyl)-3-(2-phenoxyethyl)piperazine-1-carboxylic acid benzyl ester Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCN(CC3CCOC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCN(CC3CCOC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O4S/c1-23-32-28(29(39-23)25-13-7-3-8-14-25)30(35)34-19-18-33(31(36)38-22-24-11-5-2-6-12-24)21-26(34)17-20-37-27-15-9-4-10-16-27/h2-16,26H,17-22H2,1H3