[4-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazino]-(2-thienyl)methanone Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

InChI

InChI=1S/C22H30N2O3S/c1-22(2,3)17-6-8-19(9-7-17)27-16-18(25)15-23-10-12-24(13-11-23)21(26)20-5-4-14-28-20/h4-9,14,18,25H,10-13,15-16H2,1-3H3