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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)C(=CN(C)C)N)SC3=CC=CC=C3C2=O.Cl.Cl.Cl

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)/C(=C/N(C)C)/N)SC3=CC=CC=C3C2=O.Cl.Cl.Cl

InChI

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