2-[4-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(1-phenethyltetrazol-5-yl)-(6-quinolyl)methyl]piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(1-phenethyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(1-phenethyltetrazol-5-yl)-quinolin-6-ylmethyl]piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[(1-phenethyltetrazol-5-yl)-(6-quinolyl)methyl]piperazino]-1,3-benzothiazole Formula: C30H28N8S MolecularWeight: 532.66192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(C4=CC5=C(C=C4)N=CC=C5)C6=NN=NN6CCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(C4=CC5=C(C=C4)N=CC=C5)C6=NN=NN6CCC7=CC=CC=C7

InChI

InChI=1S/C30H28N8S/c1-2-7-22(8-3-1)14-16-38-29(33-34-35-38)28(24-12-13-25-23(21-24)9-6-15-31-25)36-17-19-37(20-18-36)30-32-26-10-4-5-11-27(26)39-30/h1-13,15,21,28H,14,16-20H2