4-[6-diazenyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-yl]piperazin-2-one

Systemtic Name: 4-[6-diazenyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-yl]piperazin-2-one Openeye Name: 4-[6-diazenyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-yl]piperazin-2-one CAS Name: 4-[6-diazenyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-yl]-2-piperazinone IUPAC Name: 4-[6-diazenyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-yl]piperazin-2-one Traditional Name: 4-[6-diazenyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-yl]piperazin-2-one Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCNC(=O)C3)N=N)CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCNC(=O)C3)N=N)CC(C)(C)C

InChI

InChI=1S/C20H29N5O2S/c1-13(11-20(2,3)4)5-8-27-16-9-15-17(10-14(16)24-21)28-19(23-15)25-7-6-22-18(26)12-25/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,26)