N-[(E)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-(4-butoxy-3-ethoxy-phenyl)methyleneamino]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-(4-butoxy-3-ethoxy-benzylidene)amino]-3-chloro-benzothiophene-2-carboxamide Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

InChI

InChI=1S/C22H23ClN2O3S/c1-3-5-12-28-17-11-10-15(13-18(17)27-4-2)14-24-25-22(26)21-20(23)16-8-6-7-9-19(16)29-21/h6-11,13-14H,3-5,12H2,1-2H3,(H,25,26)/b24-14+