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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O3S/c1-26-21-14-18(28-2)4-5-19(21)22(25)24-10-8-23(9-11-24)15-16-3-6-20-17(13-16)7-12-27-20/h3-6,13-14H,7-12,15H2,1-2H3