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

Systemtic Name: 5-chloranyl-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 5-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 5-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 5-chloro-1-[2-(dibutylamino)ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 5-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=C3Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC=C3Cl.Cl

InChI

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