1-azanyl-4-[(Z)-1-azanyl-2-(dimethylamino)ethenyl]-2-(2-diethylaminoethyl)thioxanthen-9-one trihydrochloride

Systemtic Name: 1-azanyl-4-[(Z)-1-azanyl-2-(dimethylamino)ethenyl]-2-(2-diethylaminoethyl)thioxanthen-9-one trihydrochloride Openeye Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)vinyl]-2-(2-diethylaminoethyl)thioxanthen-9-one trihydrochloride CAS Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)ethenyl]-2-(2-diethylaminoethyl)-9-thioxanthenone trihydrochloride IUPAC Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)ethenyl]-2-(2-diethylaminoethyl)thioxanthen-9-one trihydrochloride Traditional Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)vinyl]-2-(2-diethylaminoethyl)thioxanthen-9-one trihydrochloride Formula: C23H33Cl3N4OS MolecularWeight: 519.95832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C2=C(C(=C1)C(=CN(C)C)N)SC3=CC=CC=C3C2=O)N.Cl.Cl.Cl

Isomeric SMILES

CCN(CC)CCC1=C(C2=C(C(=C1)/C(=C/N(C)C)/N)SC3=CC=CC=C3C2=O)N.Cl.Cl.Cl

InChI

InChI=1S/C23H30N4OS.3ClH/c1-5-27(6-2)12-11-15-13-17(18(24)14-26(3)4)23-20(21(15)25)22(28)16-9-7-8-10-19(16)29-23;;;/h7-10,13-14H,5-6,11-12,24-25H2,1-4H3;3*1H/b18-14-;;;