1-[2-[ethyl(oxidanyl)amino]butylamino]-4-(hydroxymethyl)thioxanthen-9-one

Systemtic Name: 1-[2-[ethyl(oxidanyl)amino]butylamino]-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 1-[2-[ethyl(hydroxy)amino]butylamino]-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 1-[2-[ethyl(hydroxy)amino]butylamino]-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 1-[2-[ethyl(hydroxy)amino]butylamino]-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 1-[2-[ethyl(hydroxy)amino]butylamino]-4-methylol-thioxanthen-9-one Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O)N(CC)O

Isomeric SMILES

CCC(CNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O)N(CC)O

InChI

InChI=1S/C20H24N2O3S/c1-3-14(22(25)4-2)11-21-16-10-9-13(12-23)20-18(16)19(24)15-7-5-6-8-17(15)26-20/h5-10,14,21,23,25H,3-4,11-12H2,1-2H3