ethyl 4-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-isopropylphenyl)-(3-methylisothiazol-5-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-methyl-5-isothiazolyl)-(4-propan-2-ylphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(3-methylisothiazol-5-yl)-p-cumenyl-methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C(C)C)C3=CC(=NS3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C(C)C)C3=CC(=NS3)C

InChI

InChI=1S/C21H29N3O2S/c1-5-26-21(25)24-12-10-23(11-13-24)20(19-14-16(4)22-27-19)18-8-6-17(7-9-18)15(2)3/h6-9,14-15,20H,5,10-13H2,1-4H3