2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H25ClN2O3S/c1-14(2)16-12-17(22)15(3)11-18(16)27-13-20(25)23-6-8-24(9-7-23)21(26)19-5-4-10-28-19/h4-5,10-12,14H,6-9,13H2,1-3H3