(E)-1-[4-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-oxidanyl-propan-2-yl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-oxidanyl-propan-2-yl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2-hydroxy-1-methyl-2-thiochroman-6-yl-ethyl)piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-1-hydroxypropan-2-yl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-hydroxypropan-2-yl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(2-hydroxy-1-methyl-2-thiochroman-6-yl-ethyl)piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C23H28N2O2S2 MolecularWeight: 428.61062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)SCCC2)O)N3CCN(CC3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)SCCC2)O)N3CCN(CC3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C23H28N2O2S2/c1-17(23(27)19-6-8-21-18(16-19)4-2-15-29-21)24-10-12-25(13-11-24)22(26)9-7-20-5-3-14-28-20/h3,5-9,14,16-17,23,27H,2,4,10-13,15H2,1H3/b9-7+