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

Systemtic Name: N-[(4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-chloro-5-methoxy-4-sec-butoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-chloro-5-methoxy-4-sec-butoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5S/c1-4-12(2)30-20-16(22)7-13(8-17(20)29-3)11-23-24-21(26)19-10-14-9-15(25(27)28)5-6-18(14)31-19/h5-12H,4H2,1-3H3,(H,24,26)