2-(benzotriazol-1-yl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H22N6O2S/c1-2-29-15-7-8-17-19(13-15)30-21(22-17)26-11-9-25(10-12-26)20(28)14-27-18-6-4-3-5-16(18)23-24-27/h3-8,13H,2,9-12,14H2,1H3