3-[12-(2-azanylidene-1,3-benzothiazol-3-yl)dodecyl]-1,3-benzothiazol-2-imine; ethanedioic acid

Systemtic Name: 3-[12-(2-azanylidene-1,3-benzothiazol-3-yl)dodecyl]-1,3-benzothiazol-2-imine; ethanedioic acid Openeye Name: 3-[12-(2-imino-1,3-benzothiazol-3-yl)dodecyl]-1,3-benzothiazol-2-imine; oxalic acid CAS Name: 3-[12-(2-imino-1,3-benzothiazol-3-yl)dodecyl]-1,3-benzothiazol-2-imine; oxalic acid IUPAC Name: 3-[12-(2-imino-1,3-benzothiazol-3-yl)dodecyl]-1,3-benzothiazol-2-imine; oxalic acid Traditional Name: [3-[12-(2-imino-1,3-benzothiazol-3-yl)dodecyl]-1,3-benzothiazol-2-ylidene]amine; oxalic acid Formula: C28H36N4O4S2 MolecularWeight: 556.73984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=N)S2)CCCCCCCCCCCCN3C4=CC=CC=C4SC3=N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=N)S2)CCCCCCCCCCCCN3C4=CC=CC=C4SC3=N.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H34N4S2.C2H2O4/c27-25-29(21-15-9-11-17-23(21)31-25)19-13-7-5-3-1-2-4-6-8-14-20-30-22-16-10-12-18-24(22)32-26(30)28;3-1(4)2(5)6/h9-12,15-18,27-28H,1-8,13-14,19-20H2;(H,3,4)(H,5,6)