(E)-but-2-enedioic acid; N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-yl-propan-1-amine Openeye Name: N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-yl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-(10-thieno[3,2-b][1]benzazepinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-ylpropan-1-amine Traditional Name: dimethyl(3-thieno[3,2-b][1]benzazepin-10-ylpropyl)amine; fumaric acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C=CC3=CC=CC=C31)SC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C2=C(C=CC3=CC=CC=C31)SC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2S.C4H4O4/c1-18(2)11-5-12-19-15-7-4-3-6-14(15)8-9-17-16(19)10-13-20-17;5-3(6)1-2-4(7)8/h3-4,6-10,13H,5,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+