N-[(E)-(2-butoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1/C=N/NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-2-3-10-27-17-7-5-4-6-14(17)13-21-22-20(24)19-12-15-11-16(23(25)26)8-9-18(15)28-19/h4-9,11-13H,2-3,10H2,1H3,(H,22,24)/b21-13+