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

Systemtic Name: 4-(hydroxymethyl)-1-[2-(2-methylpiperidin-1-yl)ethylamino]thioxanthen-9-one Openeye Name: 4-(hydroxymethyl)-1-[2-(2-methyl-1-piperidyl)ethylamino]thioxanthen-9-one CAS Name: 4-(hydroxymethyl)-1-[2-(2-methyl-1-piperidinyl)ethylamino]-9-thioxanthenone IUPAC Name: 4-(hydroxymethyl)-1-[2-(2-methylpiperidin-1-yl)ethylamino]thioxanthen-9-one Traditional Name: 4-methylol-1-[2-(2-methylpiperidino)ethylamino]thioxanthen-9-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCCCN1CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H26N2O2S/c1-15-6-4-5-12-24(15)13-11-23-18-10-9-16(14-25)22-20(18)21(26)17-7-2-3-8-19(17)27-22/h2-3,7-10,15,23,25H,4-6,11-14H2,1H3