N-[(4-butan-2-yloxy-3-chloranyl-5-ethoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-butan-2-yloxy-3-chloranyl-5-ethoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-chloro-5-ethoxy-4-sec-butoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-chloro-5-ethoxy-4-sec-butoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Cl)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Cl)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H22ClN3O5S/c1-4-13(3)31-21-17(23)8-14(9-18(21)30-5-2)12-24-25-22(27)20-11-15-10-16(26(28)29)6-7-19(15)32-20/h6-13H,4-5H2,1-3H3,(H,25,27)