N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-4-ethoxy-3-nitro-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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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(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c1-3-5-18(25)23-20-22-14-8-7-13(11-17(14)30-20)21-19(26)12-6-9-16(29-4-2)15(10-12)24(27)28/h6-11H,3-5H2,1-2H3,(H,21,26)(H,22,23,25)