(E)-but-2-enedioic acid; 5-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine

Systemtic Name: (E)-but-2-enedioic acid; 5-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine Openeye Name: fumaric acid; 5-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine CAS Name: (E)-2-butenedioic acid; 5-(1-piperazinyl)-10H-thieno[3,4-b][1,4]benzodiazepine IUPAC Name: (E)-but-2-enedioic acid; 5-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine Traditional Name: fumaric acid; 5-piperazino-10H-thieno[3,4-b][1,4]benzodiazepine Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CSC=C3NC4=CC=CC=C42.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=CSC=C3NC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16N4S.C4H4O4/c1-2-4-12-11(3-1)15(19-7-5-16-6-8-19)18-14-10-20-9-13(14)17-12;5-3(6)1-2-4(7)8/h1-4,9-10,16-17H,5-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+