2-tert-butyl-6-isothiocyanato-5-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole

Systemtic Name: 2-tert-butyl-6-isothiocyanato-5-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole Openeye Name: 2-tert-butyl-6-isothiocyanato-5-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole CAS Name: 2-tert-butyl-6-isothiocyanato-5-(4-methylsulfonyl-1-piperazinyl)-1,3-benzothiazole IUPAC Name: 2-tert-butyl-6-isothiocyanato-5-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole Traditional Name: 2-tert-butyl-6-isothiocyanato-5-(4-mesylpiperazino)-1,3-benzothiazole Formula: C17H22N4O2S3 MolecularWeight: 410.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)N=C=S)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)N=C=S)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O2S3/c1-17(2,3)16-19-13-9-14(12(18-11-24)10-15(13)25-16)20-5-7-21(8-6-20)26(4,22)23/h9-10H,5-8H2,1-4H3