7-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride

Systemtic Name: 7-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride Openeye Name: 7-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride CAS Name: 7-[3-[4-[2-(methylthio)phenyl]-1-piperazinyl]propoxy]-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride Traditional Name: 7-[3-[4-[2-(methylthio)phenyl]piperazino]propoxy]coumarin hydrochloride Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC4=C(C=C3)C=CC(=O)O4.Cl

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC4=C(C=C3)C=CC(=O)O4.Cl

InChI

InChI=1S/C23H26N2O3S.ClH/c1-29-22-6-3-2-5-20(22)25-14-12-24(13-15-25)11-4-16-27-19-9-7-18-8-10-23(26)28-21(18)17-19;/h2-3,5-10,17H,4,11-16H2,1H3;1H