ethanedioic acid; 2-[3-(4-ethylpiperazin-1-yl)propylsulfanyl]-1,3-benzothiazole

Systemtic Name: ethanedioic acid; 2-[3-(4-ethylpiperazin-1-yl)propylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[3-(4-ethylpiperazin-1-yl)propylsulfanyl]-1,3-benzothiazole; oxalic acid CAS Name: 2-[3-(4-ethyl-1-piperazinyl)propylthio]-1,3-benzothiazole; oxalic acid IUPAC Name: 2-[3-(4-ethylpiperazin-1-yl)propylsulfanyl]-1,3-benzothiazole; oxalic acid Traditional Name: 2-[3-(4-ethylpiperazino)propylthio]-1,3-benzothiazole; oxalic acid Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3S2.C2H2O4/c1-2-18-9-11-19(12-10-18)8-5-13-20-16-17-14-6-3-4-7-15(14)21-16;3-1(4)2(5)6/h3-4,6-7H,2,5,8-13H2,1H3;(H,3,4)(H,5,6)