2-(benzotriazol-1-yl)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H22N6O3S/c1-29-16-7-8-17(30-2)20-19(16)22-21(31-20)26-11-9-25(10-12-26)18(28)13-27-15-6-4-3-5-14(15)23-24-27/h3-8H,9-13H2,1-2H3