ethanedioic acid; 2-(3-piperidin-1-ylpropylsulfanyl)-1,3-benzothiazole

Systemtic Name: ethanedioic acid; 2-(3-piperidin-1-ylpropylsulfanyl)-1,3-benzothiazole Openeye Name: oxalic acid; 2-[3-(1-piperidyl)propylsulfanyl]-1,3-benzothiazole CAS Name: oxalic acid; 2-[3-(1-piperidinyl)propylthio]-1,3-benzothiazole IUPAC Name: oxalic acid; 2-(3-piperidin-1-ylpropylsulfanyl)-1,3-benzothiazole Traditional Name: oxalic acid; 2-(3-piperidinopropylthio)-1,3-benzothiazole Formula: C19H24N2O8S2 MolecularWeight: 472.53246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20N2S2.2C2H2O4/c1-4-9-17(10-5-1)11-6-12-18-15-16-13-7-2-3-8-14(13)19-15;2*3-1(4)2(5)6/h2-3,7-8H,1,4-6,9-12H2;2*(H,3,4)(H,5,6)