2-(benzotriazol-1-yl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C21H22N6OS/c1-14-7-8-18-20(15(14)2)22-21(29-18)26-11-9-25(10-12-26)19(28)13-27-17-6-4-3-5-16(17)23-24-27/h3-8H,9-13H2,1-2H3