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

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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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)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-2-5-20(28)25-22-24-16-8-7-15(13-19(16)32-22)23-21(29)14-6-9-17(18(12-14)27(30)31)26-10-3-4-11-26/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,29)(H,24,25,28)