(E)-but-2-enedioic acid; [5-(dimethylaminomethyl)furan-2-yl]methyl carbamimidothioate

Systemtic Name: (E)-but-2-enedioic acid; [5-(dimethylaminomethyl)furan-2-yl]methyl carbamimidothioate Openeye Name: 2-[[5-(dimethylaminomethyl)-2-furyl]methyl]isothiourea; fumaric acid CAS Name: (E)-2-butenedioic acid; carbamimidothioic acid [5-(dimethylaminomethyl)-2-furanyl]methyl ester IUPAC Name: (E)-but-2-enedioic acid; [5-(dimethylaminomethyl)furan-2-yl]methyl carbamimidothioate Traditional Name: 2-[[5-(dimethylaminomethyl)-2-furyl]methyl]isothiourea; fumaric acid Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSC(=N)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSC(=N)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H15N3OS.C4H4O4/c1-12(2)5-7-3-4-8(13-7)6-14-9(10)11;5-3(6)1-2-4(7)8/h3-4H,5-6H2,1-2H3,(H3,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+