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

Systemtic Name: 1-[2-(butylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Openeye Name: 1-[2-(butylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride CAS Name: 1-[2-(butylamino)ethylamino]-4-methyl-9-thioxanthenone hydrochloride IUPAC Name: 1-[2-(butylamino)ethylamino]-4-methylthioxanthen-9-one hydrochloride Traditional Name: 1-[2-(butylamino)ethylamino]-4-methyl-thioxanthen-9-one hydrochloride Formula: C20H25ClN2OS MolecularWeight: 376.9433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl

Isomeric SMILES

CCCCNCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl

InChI

InChI=1S/C20H24N2OS.ClH/c1-3-4-11-21-12-13-22-16-10-9-14(2)20-18(16)19(23)15-7-5-6-8-17(15)24-20;/h5-10,21-22H,3-4,11-13H2,1-2H3;1H