3-(4-methoxyphenyl)-3-(2-morpholin-4-ylethylsulfanyl)-1-phenyl-propan-1-one hydrochloride

Systemtic Name: 3-(4-methoxyphenyl)-3-(2-morpholin-4-ylethylsulfanyl)-1-phenyl-propan-1-one hydrochloride Openeye Name: 3-(4-methoxyphenyl)-3-(2-morpholinoethylsulfanyl)-1-phenyl-propan-1-one hydrochloride CAS Name: 3-(4-methoxyphenyl)-3-[2-(4-morpholinyl)ethylthio]-1-phenyl-1-propanone hydrochloride IUPAC Name: 3-(4-methoxyphenyl)-3-(2-morpholin-4-ylethylsulfanyl)-1-phenylpropan-1-one hydrochloride Traditional Name: 3-(4-methoxyphenyl)-3-(2-morpholinoethylthio)-1-phenyl-propan-1-one hydrochloride Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SCCN3CCOCC3.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SCCN3CCOCC3.Cl

InChI

InChI=1S/C22H27NO3S.ClH/c1-25-20-9-7-19(8-10-20)22(17-21(24)18-5-3-2-4-6-18)27-16-13-23-11-14-26-15-12-23;/h2-10,22H,11-17H2,1H3;1H