(E)-but-2-enedioic acid; 6-methoxy-N-(phenylmethyl)-N-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 6-methoxy-N-(phenylmethyl)-N-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-amine Openeye Name: N-benzyl-6-methoxy-N-[2-(1-piperidyl)ethyl]-1,3-benzothiazol-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-methoxy-N-(phenylmethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-benzothiazol-2-amine IUPAC Name: N-benzyl-6-methoxy-N-(2-piperidin-1-ylethyl)-1,3-benzothiazol-2-amine; (E)-but-2-enedioic acid Traditional Name: benzyl-(6-methoxy-1,3-benzothiazol-2-yl)-(2-piperidinoethyl)amine; fumaric acid Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CCN3CCCCC3)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CCN3CCCCC3)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27N3OS.C4H4O4/c1-26-19-10-11-20-21(16-19)27-22(23-20)25(17-18-8-4-2-5-9-18)15-14-24-12-6-3-7-13-24;5-3(6)1-2-4(7)8/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+