1-[3-(dimethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one

Systemtic Name: 1-[3-(dimethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 1-[3-(dimethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-[3-(dimethylamino)propylamino]-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-[3-(dimethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-[3-(dimethylamino)propylamino]-4-methylol-thioxanthen-9-one Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O

Isomeric SMILES

CN(C)CCCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H22N2O2S/c1-21(2)11-5-10-20-15-9-8-13(12-22)19-17(15)18(23)14-6-3-4-7-16(14)24-19/h3-4,6-9,20,22H,5,10-12H2,1-2H3