1-[2-(butylamino)ethylamino]-4-methyl-thioxanthen-9-one

Systemtic Name: 1-[2-(butylamino)ethylamino]-4-methyl-thioxanthen-9-one Openeye Name: 1-[2-(butylamino)ethylamino]-4-methyl-thioxanthen-9-one CAS Name: 1-[2-(butylamino)ethylamino]-4-methyl-9-thioxanthenone IUPAC Name: 1-[2-(butylamino)ethylamino]-4-methylthioxanthen-9-one Traditional Name: 1-[2-(butylamino)ethylamino]-4-methyl-thioxanthen-9-one Formula: C20H24N2OS MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCNCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H24N2OS/c1-3-4-11-21-12-13-22-16-10-9-14(2)20-18(16)19(23)15-7-5-6-8-17(15)24-20/h5-10,21-22H,3-4,11-13H2,1-2H3