[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(cyclohexylsulfanylmethyl)benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[(cyclohexylthio)methyl]-2-benzofuranyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[(cyclohexylthio)methyl]benzofuran-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H28N4O2S/c29-23(27-13-15-28(16-14-27)24-25-11-6-12-26-24)22-20(17-31-18-7-2-1-3-8-18)19-9-4-5-10-21(19)30-22/h4-6,9-12,18H,1-3,7-8,13-17H2