4-(hydroxymethyl)-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one

Systemtic Name: 4-(hydroxymethyl)-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one Openeye Name: 4-(hydroxymethyl)-1-[2-(1-piperidyl)ethylamino]thioxanthen-9-one CAS Name: 4-(hydroxymethyl)-1-[2-(1-piperidinyl)ethylamino]-9-thioxanthenone IUPAC Name: 4-(hydroxymethyl)-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one Traditional Name: 4-methylol-1-(2-piperidinoethylamino)thioxanthen-9-one Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H24N2O2S/c24-14-15-8-9-17(22-10-13-23-11-4-1-5-12-23)19-20(25)16-6-2-3-7-18(16)26-21(15)19/h2-3,6-9,22,24H,1,4-5,10-14H2