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

Systemtic Name: 1-[3-(diethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 1-[3-(diethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-[3-(diethylamino)propylamino]-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-[3-(diethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-[3-(diethylamino)propylamino]-4-methylol-thioxanthen-9-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-3-23(4-2)13-7-12-22-17-11-10-15(14-24)21-19(17)20(25)16-8-5-6-9-18(16)26-21/h5-6,8-11,22,24H,3-4,7,12-14H2,1-2H3