ethanedioic acid; 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: ethanedioic acid; 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(2-naphthylmethyl)piperazin-1-yl]-1,3-benzothiazole; oxalic acid CAS Name: 2-[4-(2-naphthalenylmethyl)-1-piperazinyl]-1,3-benzothiazole; oxalic acid IUPAC Name: 2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-1,3-benzothiazole; oxalic acid Traditional Name: 2-[4-(2-naphthylmethyl)piperazino]-1,3-benzothiazole; oxalic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21N3S.C2H2O4/c1-2-6-19-15-17(9-10-18(19)5-1)16-24-11-13-25(14-12-24)22-23-20-7-3-4-8-21(20)26-22;3-1(4)2(5)6/h1-10,15H,11-14,16H2;(H,3,4)(H,5,6)