N-[(4-butan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-butan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[(4-sec-butoxyphenyl)methyleneamino]benzothiophene-2-carboxamide CAS Name: N-[(4-butan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[(4-sec-butoxybenzylidene)amino]benzothiophene-2-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-3-13(2)27-17-7-4-14(5-8-17)12-21-22-20(24)19-11-15-10-16(23(25)26)6-9-18(15)28-19/h4-13H,3H2,1-2H3,(H,22,24)