2-(butylamino)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-sulfanylidene-ethanamide

Systemtic Name: 2-(butylamino)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-sulfanylidene-ethanamide Openeye Name: 2-(butylamino)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-thioxo-acetamide CAS Name: 2-(butylamino)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-sulfanylideneacetamide IUPAC Name: 2-(butylamino)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-sulfanylideneacetamide Traditional Name: 2-(butylamino)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-thioxo-acetamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)C(=O)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)C(=O)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-3-5-10-21-20(29)19(24)22-14-11-15(23(25)26)13-18(12-14)28-17-8-6-16(7-9-17)27-4-2/h6-9,11-13H,3-5,10H2,1-2H3,(H,21,29)(H,22,24)