N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-thiophene-2-carbothioamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-thiophene-2-carbothioamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 5-phenyl-N-quinuclidin-3-yl-thiophene-2-carbothioamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-2-thiophenecarbothioamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenylthiophene-2-carbothioamide; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 5-phenyl-N-quinuclidin-3-yl-thiophene-2-carbothioamide Formula: C22H24N2O4S2 MolecularWeight: 444.56696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)C3=CC=C(S3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)C3=CC=C(S3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N2S2.C4H4O4/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14;5-3(6)1-2-4(7)8/h1-7,13,15H,8-12H2,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+