N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C21H20Cl2N2OS MolecularWeight: 419.3673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl)/C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H20Cl2N2OS/c1-12(13-5-7-14(8-6-13)21(2,3)4)24-25-20(26)19-18(23)16-10-9-15(22)11-17(16)27-19/h5-11H,1-4H3,(H,25,26)/b24-12+