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

Systemtic Name: N-[(4-butan-2-yloxy-3-methoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-methoxy-4-sec-butoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4-butan-2-yloxy-3-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butan-2-yloxy-3-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-methoxy-4-sec-butoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O5S/c1-4-13(2)29-17-7-5-14(9-18(17)28-3)12-22-23-21(25)20-11-15-10-16(24(26)27)6-8-19(15)30-20/h5-13H,4H2,1-3H3,(H,23,25)