[4-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazino]-(2-thienyl)methanone Formula: C22H29ClN2O3S MolecularWeight: 436.99526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

InChI

InChI=1S/C22H29ClN2O3S/c1-15(2)18-12-19(23)16(3)11-20(18)28-14-17(26)13-24-6-8-25(9-7-24)22(27)21-5-4-10-29-21/h4-5,10-12,15,17,26H,6-9,13-14H2,1-3H3