4-(hydroxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethylamino]thioxanthen-9-one

Systemtic Name: 4-(hydroxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethylamino]thioxanthen-9-one Openeye Name: 4-(hydroxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethylamino]thioxanthen-9-one CAS Name: 4-(hydroxymethyl)-1-[2-(4-methyl-1-piperazinyl)ethylamino]-9-thioxanthenone IUPAC Name: 4-(hydroxymethyl)-1-[2-(4-methylpiperazin-1-yl)ethylamino]thioxanthen-9-one Traditional Name: 4-methylol-1-[2-(4-methylpiperazino)ethylamino]thioxanthen-9-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O

Isomeric SMILES

CN1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H25N3O2S/c1-23-10-12-24(13-11-23)9-8-22-17-7-6-15(14-25)21-19(17)20(26)16-4-2-3-5-18(16)27-21/h2-7,22,25H,8-14H2,1H3