2-(dimethylaminomethyl)-1-(4-phenylmethoxyphenyl)-3-phenylsulfanyl-propan-1-one hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-1-(4-phenylmethoxyphenyl)-3-phenylsulfanyl-propan-1-one hydrochloride Openeye Name: 1-(4-benzyloxyphenyl)-2-(dimethylaminomethyl)-3-phenylsulfanyl-propan-1-one hydrochloride CAS Name: 2-(dimethylaminomethyl)-1-(4-phenylmethoxyphenyl)-3-(phenylthio)-1-propanone hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-1-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropan-1-one hydrochloride Traditional Name: 1-(4-benzoxyphenyl)-2-(dimethylaminomethyl)-3-(phenylthio)propan-1-one hydrochloride Formula: C25H28ClNO2S MolecularWeight: 442.01332

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CSC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC(CSC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C25H27NO2S.ClH/c1-26(2)17-22(19-29-24-11-7-4-8-12-24)25(27)21-13-15-23(16-14-21)28-18-20-9-5-3-6-10-20;/h3-16,22H,17-19H2,1-2H3;1H