3-acetamido-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzamide; ethanedioic acid

Systemtic Name: 3-acetamido-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzamide; ethanedioic acid Openeye Name: 3-acetamido-N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]benzamide; oxalic acid CAS Name: 3-acetamido-N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]benzamide; oxalic acid IUPAC Name: 3-acetamido-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzamide; oxalic acid Traditional Name: 3-acetamido-N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]benzamide; oxalic acid Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3O3S.C2H2O4/c1-14(23)21-16-6-4-5-15(11-16)19(24)20-9-10-26-13-18-8-7-17(25-18)12-22(2)3;3-1(4)2(5)6/h4-8,11H,9-10,12-13H2,1-3H3,(H,20,24)(H,21,23);(H,3,4)(H,5,6)