1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)-10-oxidanylidene-thioxanthen-9-one

Systemtic Name: 1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)-10-oxidanylidene-thioxanthen-9-one Openeye Name: 1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)-10-oxo-thioxanthen-9-one CAS Name: 1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)-10-oxo-9-thioxanthenone IUPAC Name: 1-[2-diethylaminoethyl(methyl)amino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one Traditional Name: 1-[2-diethylaminoethyl(methyl)amino]-10-keto-4-methylol-thioxanthen-9-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)C1=C2C(=C(C=C1)CO)S(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCN(C)C1=C2C(=C(C=C1)CO)S(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H26N2O3S/c1-4-23(5-2)13-12-22(3)17-11-10-15(14-24)21-19(17)20(25)16-8-6-7-9-18(16)27(21)26/h6-11,24H,4-5,12-14H2,1-3H3