N',N'-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanediamide

Systemtic Name: N',N'-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanediamide Openeye Name: N',N'-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanediamide CAS Name: N',N'-dimethyl-N-[[5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]butanediamide IUPAC Name: N',N'-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanediamide Traditional Name: N',N'-dimethyl-N-[[5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]succinamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC(=O)NCC1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C)C(=O)CCC(=O)NCC1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O3S/c1-24(2)22(26)11-10-21(25)23-14-18-13-17-12-16(6-9-20(17)27-18)15-4-7-19(28-3)8-5-15/h4-9,12,18H,10-11,13-14H2,1-3H3,(H,23,25)