1-[4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazino]ethanone Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)N=C=S

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)N=C=S

InChI

InChI=1S/C18H22N4OS2/c1-12(23)21-5-7-22(8-6-21)15-9-14-16(10-13(15)19-11-24)25-17(20-14)18(2,3)4/h9-10H,5-8H2,1-4H3