2-(phenylmethylsulfanyl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 2-(phenylmethylthio)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-(2,3,4-trimethoxybenzyl)piperazino]propan-1-one Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O4S/c1-18(31-17-19-8-6-5-7-9-19)24(27)26-14-12-25(13-15-26)16-20-10-11-21(28-2)23(30-4)22(20)29-3/h5-11,18H,12-17H2,1-4H3