6-chloranyl-1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)thioxanthen-9-one

Systemtic Name: 6-chloranyl-1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 6-chloro-1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 6-chloro-1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 6-chloro-1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 6-chloro-1-[2-diethylaminoethyl(methyl)amino]-4-methylol-thioxanthen-9-one Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)C1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

CCN(CC)CCN(C)C1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-4-24(5-2)11-10-23(3)17-9-6-14(13-25)21-19(17)20(26)16-8-7-15(22)12-18(16)27-21/h6-9,12,25H,4-5,10-11,13H2,1-3H3