N1,N3-bis[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]isophthalamide Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)C(=O)NCCSCC3=CC=C(O3)CN(C)C

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)C(=O)NCCSCC3=CC=C(O3)CN(C)C

InChI

InChI=1S/C28H38N4O4S2/c1-31(2)17-23-8-10-25(35-23)19-37-14-12-29-27(33)21-6-5-7-22(16-21)28(34)30-13-15-38-20-26-11-9-24(36-26)18-32(3)4/h5-11,16H,12-15,17-20H2,1-4H3,(H,29,33)(H,30,34)