1-[2-[butyl(2-oxidanylpropyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride

Systemtic Name: 1-[2-[butyl(2-oxidanylpropyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride Openeye Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride CAS Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-4-methyl-9-thioxanthenone chloride IUPAC Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one chloride Traditional Name: 1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride Formula: C23H30ClN2O2S- MolecularWeight: 434.0145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)O.[Cl-]

Isomeric SMILES

CCCCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)O.[Cl-]

InChI

InChI=1S/C23H30N2O2S.ClH/c1-4-5-13-25(15-17(3)26)14-12-24-19-11-10-16(2)23-21(19)22(27)18-8-6-7-9-20(18)28-23;/h6-11,17,24,26H,4-5,12-15H2,1-3H3;1H/p-1