3-(4-bromanylphenoxy)-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-(4-bromanylphenoxy)-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(4-bromophenoxy)-N-methyl-3-thiazol-4-yl-propan-1-amine; fumaric acid CAS Name: 3-(4-bromophenoxy)-N-methyl-3-(4-thiazolyl)-1-propanamine; (E)-2-butenedioic acid IUPAC Name: 3-(4-bromophenoxy)-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine; (E)-but-2-enedioic acid Traditional Name: [3-(4-bromophenoxy)-3-thiazol-4-yl-propyl]-methyl-amine; fumaric acid Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CSC=N1)OC2=CC=C(C=C2)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC(C1=CSC=N1)OC2=CC=C(C=C2)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15BrN2OS.C4H4O4/c1-15-7-6-13(12-8-18-9-16-12)17-11-4-2-10(14)3-5-11;5-3(6)1-2-4(7)8/h2-5,8-9,13,15H,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+