2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-thiochromen-4-ol

Systemtic Name: 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-thiochromen-4-ol Openeye Name: 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]thiochroman-4-ol CAS Name: 2-[3-[4-(4-hydroxyphenyl)-1-piperazinyl]propyl]-3,4-dihydro-2H-1-benzothiopyran-4-ol IUPAC Name: 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-thiochromen-4-ol Traditional Name: 2-[3-[4-(4-hydroxyphenyl)piperazino]propyl]thiochroman-4-ol Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2CC(C3=CC=CC=C3S2)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CCN1CCCC2CC(C3=CC=CC=C3S2)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H28N2O2S/c25-18-9-7-17(8-10-18)24-14-12-23(13-15-24)11-3-4-19-16-21(26)20-5-1-2-6-22(20)27-19/h1-2,5-10,19,21,25-26H,3-4,11-16H2