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

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 2-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-2-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c1-2-5-16(23)21-18-20-13-9-8-11(10-15(13)27-18)19-17(24)12-6-3-4-7-14(12)22(25)26/h3-4,6-10H,2,5H2,1H3,(H,19,24)(H,20,21,23)