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

Systemtic Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-thioxanthen-9-one chloride Openeye Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-thioxanthen-9-one chloride CAS Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-9-thioxanthenone chloride IUPAC Name: 1-[2-(dihexylamino)ethylamino]-4-methylthioxanthen-9-one chloride Traditional Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-thioxanthen-9-one chloride Formula: C28H40ClN2OS- MolecularWeight: 488.148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2OS.ClH/c1-4-6-8-12-19-30(20-13-9-7-5-2)21-18-29-24-17-16-22(3)28-26(24)27(31)23-14-10-11-15-25(23)32-28;/h10-11,14-17,29H,4-9,12-13,18-21H2,1-3H3;1H/p-1