3-nitro-4-pyrrolidin-1-yl-N-(quinolin-5-ylcarbamothioyl)benzamide

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-(quinolin-5-ylcarbamothioyl)benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-(5-quinolylcarbamothioyl)benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-(quinolin-5-ylcarbamothioyl)benzamide Traditional Name: 3-nitro-4-pyrrolidino-N-(5-quinolylthiocarbamoyl)benzamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c27-20(14-8-9-18(19(13-14)26(28)29)25-11-1-2-12-25)24-21(30)23-17-7-3-6-16-15(17)5-4-10-22-16/h3-10,13H,1-2,11-12H2,(H2,23,24,27,30)