[4-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazino]-(2-thienyl)methanone Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

InChI

InChI=1S/C20H26N2O3S/c1-15-5-6-16(2)18(12-15)25-14-17(23)13-21-7-9-22(10-8-21)20(24)19-4-3-11-26-19/h3-6,11-12,17,23H,7-10,13-14H2,1-2H3