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

Systemtic Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 1-[2-(dibutylamino)ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Formula: C24H33ClN2OS MolecularWeight: 433.04962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl

InChI

InChI=1S/C24H32N2OS.ClH/c1-4-6-15-26(16-7-5-2)17-14-25-20-13-12-18(3)24-22(20)23(27)19-10-8-9-11-21(19)28-24;/h8-13,25H,4-7,14-17H2,1-3H3;1H