(6E)-6-(1,3-benzothiazol-2-ylsulfanylimino)-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(1,3-benzothiazol-2-ylsulfanylimino)-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(1,3-benzothiazol-2-ylsulfanylimino)-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one CAS Name: (NE)-N-(3,5-ditert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-benzothiazole-2-sulfenamide IUPAC Name: (6E)-6-(1,3-benzothiazol-2-ylsulfanylimino)-2,4-ditert-butylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(1,3-benzothiazol-2-ylthio)imino-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NSC2=NC3=CC=CC=C3S2)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C/C(=N\SC2=NC3=CC=CC=C3S2)/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C21H24N2OS2/c1-20(2,3)13-11-14(21(4,5)6)18(24)16(12-13)23-26-19-22-15-9-7-8-10-17(15)25-19/h7-12H,1-6H3/b23-16+