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

Systemtic Name: 6-chloranyl-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 6-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 6-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 6-chloro-1-[2-(dibutylamino)ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 6-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Formula: C24H32Cl2N2OS MolecularWeight: 467.49468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl.Cl

InChI

InChI=1S/C24H31ClN2OS.ClH/c1-4-6-13-27(14-7-5-2)15-12-26-20-11-8-17(3)24-22(20)23(28)19-10-9-18(25)16-21(19)29-24;/h8-11,16,26H,4-7,12-15H2,1-3H3;1H