N-[(E)-1,3-benzothiazol-6-ylmethylideneamino]-2-(4-tert-butylphenyl)-2-methyl-cyclopropane-1-carboxamide

Systemtic Name: N-[(E)-1,3-benzothiazol-6-ylmethylideneamino]-2-(4-tert-butylphenyl)-2-methyl-cyclopropane-1-carboxamide Openeye Name: N-[(E)-1,3-benzothiazol-6-ylmethyleneamino]-2-(4-tert-butylphenyl)-2-methyl-cyclopropanecarboxamide CAS Name: N-[(E)-1,3-benzothiazol-6-ylmethylideneamino]-2-(4-tert-butylphenyl)-2-methyl-1-cyclopropanecarboxamide IUPAC Name: N-[(E)-1,3-benzothiazol-6-ylmethylideneamino]-2-(4-tert-butylphenyl)-2-methylcyclopropane-1-carboxamide Traditional Name: N-[(E)-1,3-benzothiazol-6-ylmethyleneamino]-2-(4-tert-butylphenyl)-2-methyl-cyclopropanecarboxamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NN=CC2=CC3=C(C=C2)N=CS3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1(CC1C(=O)N/N=C/C2=CC3=C(C=C2)N=CS3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C23H25N3OS/c1-22(2,3)16-6-8-17(9-7-16)23(4)12-18(23)21(27)26-25-13-15-5-10-19-20(11-15)28-14-24-19/h5-11,13-14,18H,12H2,1-4H3,(H,26,27)/b25-13+