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

Systemtic Name: ethanedioic acid; 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-benzothiazole Openeye Name: oxalic acid; 2-[4-(p-tolylmethyl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-1,3-benzothiazole; oxalic acid IUPAC Name: 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-benzothiazole; oxalic acid Traditional Name: 2-[4-(4-methylbenzyl)piperazino]-1,3-benzothiazole; oxalic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=CC=CC=C4S3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3S.C2H2O4/c1-15-6-8-16(9-7-15)14-21-10-12-22(13-11-21)19-20-17-4-2-3-5-18(17)23-19;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)