(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(coumaran-5-ylmethyl)piperazino]methanone Formula: C21H23ClN2O2S MolecularWeight: 402.93752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H23ClN2O2S/c1-27-17-3-4-19(22)18(13-17)21(25)24-9-7-23(8-10-24)14-15-2-5-20-16(12-15)6-11-26-20/h2-5,12-13H,6-11,14H2,1H3