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

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-3-nitro-4-piperidino-benzamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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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)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O4S/c1-2-6-21(29)26-23-25-17-9-8-16(14-20(17)33-23)24-22(30)15-7-10-18(19(13-15)28(31)32)27-11-4-3-5-12-27/h7-10,13-14H,2-6,11-12H2,1H3,(H,24,30)(H,25,26,29)