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

Systemtic Name: (E)-but-2-enedioic acid; 10-methyl-4-piperazin-1-yl-thieno[3,4-b][1,5]benzodiazepine Openeye Name: fumaric acid; 10-methyl-4-piperazin-1-yl-thieno[3,4-b][1,5]benzodiazepine CAS Name: (E)-2-butenedioic acid; 10-methyl-4-(1-piperazinyl)thieno[3,4-b][1,5]benzodiazepine IUPAC Name: (E)-but-2-enedioic acid; 10-methyl-4-piperazin-1-ylthieno[3,4-b][1,5]benzodiazepine Traditional Name: fumaric acid; 10-methyl-4-piperazino-thieno[3,4-b][1,5]benzodiazepine Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C(C3=CSC=C31)N4CCNCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C(C3=CSC=C31)N4CCNCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N4S.C4H4O4/c1-19-14-5-3-2-4-13(14)18-16(12-10-21-11-15(12)19)20-8-6-17-7-9-20;5-3(6)1-2-4(7)8/h2-5,10-11,17H,6-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+