1-(8-ethanoylphenoxathiin-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(8-ethanoylphenoxathiin-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 1-(8-acetylphenoxathiin-2-yl)-3-(4-benzylpiperazin-1-yl)propan-1-one dihydrochloride CAS Name: 1-(8-acetyl-2-phenoxathiinyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 1-(8-acetylphenoxathiin-2-yl)-3-(4-benzylpiperazin-1-yl)propan-1-one dihydrochloride Traditional Name: 1-(8-acetylphenoxathiin-2-yl)-3-(4-benzylpiperazino)propan-1-one dihydrochloride Formula: C28H30Cl2N2O3S MolecularWeight: 545.5204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC3=C(S2)C=C(C=C3)C(=O)CCN4CCN(CC4)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC3=C(S2)C=C(C=C3)C(=O)CCN4CCN(CC4)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H28N2O3S.2ClH/c1-20(31)22-7-9-25-27(17-22)34-28-18-23(8-10-26(28)33-25)24(32)11-12-29-13-15-30(16-14-29)19-21-5-3-2-4-6-21;;/h2-10,17-18H,11-16,19H2,1H3;2*1H