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

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole; ethanedioic acid Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole; oxalic acid CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-1,3-benzothiazole; oxalic acid IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole; oxalic acid Traditional Name: 2-[4-(4-chlorobenzyl)piperazino]-1,3-benzothiazole; oxalic acid Formula: C20H20ClN3O4S MolecularWeight: 433.9085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18ClN3S.C2H2O4/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18-20-16-3-1-2-4-17(16)23-18;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)