3-[[3-(2-azanylethyl)-1H-indol-5-yl]methyl]-5-thiophen-2-yl-imidazolidine-2,4-dione; (E)-but-2-enedioic acid

Systemtic Name: 3-[[3-(2-azanylethyl)-1H-indol-5-yl]methyl]-5-thiophen-2-yl-imidazolidine-2,4-dione; (E)-but-2-enedioic acid Openeye Name: 3-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-5-(2-thienyl)imidazolidine-2,4-dione; fumaric acid CAS Name: 3-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-5-thiophen-2-ylimidazolidine-2,4-dione; (E)-2-butenedioic acid IUPAC Name: 3-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-5-thiophen-2-ylimidazolidine-2,4-dione; (E)-but-2-enedioic acid Traditional Name: 3-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-5-(2-thienyl)hydantoin; fumaric acid Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)NC=C4CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)NC=C4CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N4O2S.C4H4O4/c19-6-5-12-9-20-14-4-3-11(8-13(12)14)10-22-17(23)16(21-18(22)24)15-2-1-7-25-15;5-3(6)1-2-4(7)8/h1-4,7-9,16,20H,5-6,10,19H2,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1+