8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanylmethyl]-3-phenyl-chromen-4-one hydrochloride

Systemtic Name: 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanylmethyl]-3-phenyl-chromen-4-one hydrochloride Openeye Name: 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanylmethyl]-3-phenyl-chromen-4-one hydrochloride CAS Name: 8-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethylthio]methyl]-3-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylsulfanylmethyl]-3-phenylchromen-4-one hydrochloride Traditional Name: 8-[[2-[4-(2-methoxyphenyl)piperazino]ethylthio]methyl]-3-phenyl-chromone hydrochloride Formula: C29H31ClN2O3S MolecularWeight: 523.08604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCSCC3=CC=CC4=C3OC=C(C4=O)C5=CC=CC=C5.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCSCC3=CC=CC4=C3OC=C(C4=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C29H30N2O3S.ClH/c1-33-27-13-6-5-12-26(27)31-16-14-30(15-17-31)18-19-35-21-23-10-7-11-24-28(32)25(20-34-29(23)24)22-8-3-2-4-9-22;/h2-13,20H,14-19,21H2,1H3;1H