2-[4-[(3E)-3-hydroxyimino-3-(3-methyl-1-benzothiophen-2-yl)propyl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[(3E)-3-hydroxyimino-3-(3-methyl-1-benzothiophen-2-yl)propyl]piperazin-1-yl]phenol Openeye Name: 3-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-(3-methylbenzothiophen-2-yl)propan-1-one oxime CAS Name: 3-[4-(2-hydroxyphenyl)-1-piperazinyl]-1-(3-methyl-1-benzothiophen-2-yl)-1-propanone oxime IUPAC Name: 2-[4-[(3E)-3-hydroxyimino-3-(3-methyl-1-benzothiophen-2-yl)propyl]piperazin-1-yl]phenol Traditional Name: 3-[4-(2-hydroxyphenyl)piperazino]-1-(3-methylbenzothiophen-2-yl)propan-1-one oxime Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=NO)CCN3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)/C(=N/O)/CCN3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H25N3O2S/c1-16-17-6-2-5-9-21(17)28-22(16)18(23-27)10-11-24-12-14-25(15-13-24)19-7-3-4-8-20(19)26/h2-9,26-27H,10-15H2,1H3/b23-18+