3-[4-(4-hydroxyphenyl)piperazin-1-yl]-1,1-bis(oxidanylidene)-2-propyl-2,3-dihydrothiochromen-4-one

Systemtic Name: 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-1,1-bis(oxidanylidene)-2-propyl-2,3-dihydrothiochromen-4-one Openeye Name: 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-1,1-dioxo-2-propyl-2,3-dihydrothiochromen-4-one CAS Name: 3-[4-(4-hydroxyphenyl)-1-piperazinyl]-1,1-dioxo-2-propyl-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-1,1-dioxo-2-propyl-2,3-dihydrothiochromen-4-one Traditional Name: 3-[4-(4-hydroxyphenyl)piperazino]-1,1-diketo-2-propyl-2,3-dihydrothiochromen-4-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=O)C2=CC=CC=C2S1(=O)=O)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCCC1C(C(=O)C2=CC=CC=C2S1(=O)=O)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H26N2O4S/c1-2-5-20-21(22(26)18-6-3-4-7-19(18)29(20,27)28)24-14-12-23(13-15-24)16-8-10-17(25)11-9-16/h3-4,6-11,20-21,25H,2,5,12-15H2,1H3