(E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine Openeye Name: fumaric acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine CAS Name: (E)-2-butenedioic acid; N-[2-(1H-indol-3-ylthio)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine Traditional Name: fumaric acid; 2-(1H-indol-3-ylthio)ethyl-(1-methyl-2-imidazolin-2-yl)amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1NCCSC2=CNC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN=C1NCCSC2=CNC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N4S.C4H4O4/c1-18-8-6-15-14(18)16-7-9-19-13-10-17-12-5-3-2-4-11(12)13;5-3(6)1-2-4(7)8/h2-5,10,17H,6-9H2,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+