N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: 5-(2-nitrophenyl)-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-2-furancarboxamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-5-(2-nitrophenyl)-2-furamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-2-5-20(27)25-22-24-15-9-8-13(12-19(15)32-22)23-21(28)18-11-10-17(31-18)14-6-3-4-7-16(14)26(29)30/h3-4,6-12H,2,5H2,1H3,(H,23,28)(H,24,25,27)