4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(1,3-benzothiazol-2-ylamino)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[(1,3-benzothiazol-2-ylamino)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2=NC3=CC=CC=C3S2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNC2=NC3=CC=CC=C3S2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H26N2OS/c1-21(2,3)15-11-14(12-16(19(15)25)22(4,5)6)13-23-20-24-17-9-7-8-10-18(17)26-20/h7-13H,1-6H3,(H,23,24)