ethanedioic acid; 1-(phenylmethyl)-4-(4-phenylsulfanylbutyl)piperazine

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)-4-(4-phenylsulfanylbutyl)piperazine Openeye Name: 1-benzyl-4-(4-phenylsulfanylbutyl)piperazine; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)-4-[4-(phenylthio)butyl]piperazine IUPAC Name: 1-benzyl-4-(4-phenylsulfanylbutyl)piperazine; oxalic acid Traditional Name: 1-benzyl-4-[4-(phenylthio)butyl]piperazine; oxalic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCSC2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCCSC2=CC=CC=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2S.C2H2O4/c1-3-9-20(10-4-1)19-23-16-14-22(15-17-23)13-7-8-18-24-21-11-5-2-6-12-21;3-1(4)2(5)6/h1-6,9-12H,7-8,13-19H2;(H,3,4)(H,5,6)