1-(4-chlorophenyl)-3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propan-1-one hydrochloride

Systemtic Name: 1-(4-chlorophenyl)-3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propan-1-one hydrochloride Openeye Name: 1-(4-chlorophenyl)-3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propan-1-one hydrochloride CAS Name: 1-(4-chlorophenyl)-3-(2-diethylaminoethylthio)-3-(4-dimethylaminophenyl)-1-propanone hydrochloride IUPAC Name: 1-(4-chlorophenyl)-3-(2-diethylaminoethylsulfanyl)-3-(4-dimethylaminophenyl)propan-1-one hydrochloride Traditional Name: 1-(4-chlorophenyl)-3-(2-diethylaminoethylthio)-3-(4-dimethylaminophenyl)propan-1-one hydrochloride Formula: C23H32Cl2N2OS MolecularWeight: 455.48398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(CC(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)N(C)C.Cl

Isomeric SMILES

CCN(CC)CCSC(CC(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)N(C)C.Cl

InChI

InChI=1S/C23H31ClN2OS.ClH/c1-5-26(6-2)15-16-28-23(19-9-13-21(14-10-19)25(3)4)17-22(27)18-7-11-20(24)12-8-18;/h7-14,23H,5-6,15-17H2,1-4H3;1H