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

Systemtic Name: [3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[[(4-chlorophenyl)thio]methyl]-2-benzofuranyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[[(4-chlorophenyl)thio]methyl]benzofuran-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C24H21ClN4O2S MolecularWeight: 464.96714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=CC=CC=C4O3)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=CC=CC=C4O3)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H21ClN4O2S/c25-17-6-8-18(9-7-17)32-16-20-19-4-1-2-5-21(19)31-22(20)23(30)28-12-14-29(15-13-28)24-26-10-3-11-27-24/h1-11H,12-16H2