1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine Traditional Name: 1-[(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]-4-piperonyl-piperazine Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H28N6O2S/c1-22(2,3)28-21(23-24-25-28)20(19-5-4-12-31-19)27-10-8-26(9-11-27)14-16-6-7-17-18(13-16)30-15-29-17/h4-7,12-13,20H,8-11,14-15H2,1-3H3