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

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4)C

InChI

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