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

Systemtic Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-thioxanthen-9-one Openeye Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-thioxanthen-9-one CAS Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-9-thioxanthenone IUPAC Name: 1-[2-(dihexylamino)ethylamino]-4-methylthioxanthen-9-one Traditional Name: 1-[2-(dihexylamino)ethylamino]-4-methyl-thioxanthen-9-one Formula: C28H40N2OS MolecularWeight: 452.695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCN(CCCCCC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C28H40N2OS/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