[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [3-(benzylsulfanylmethyl)benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [3-[(phenylmethylthio)methyl]-2-benzofuranyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [3-(benzylsulfanylmethyl)-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [3-[(benzylthio)methyl]benzofuran-2-yl]-(4-phenylpiperazino)methanone Formula: C27H26N2O2S MolecularWeight: 442.57254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O2S/c30-27(29-17-15-28(16-18-29)22-11-5-2-6-12-22)26-24(23-13-7-8-14-25(23)31-26)20-32-19-21-9-3-1-4-10-21/h1-14H,15-20H2