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

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-(quinolin-5-ylcarbamothioyl)benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-(5-quinolylcarbamothioyl)benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-(quinolin-5-ylcarbamothioyl)benzamide Traditional Name: 3-nitro-4-piperidino-N-(5-quinolylthiocarbamoyl)benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S/c28-21(25-22(31)24-18-8-4-7-17-16(18)6-5-11-23-17)15-9-10-19(20(14-15)27(29)30)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13H2,(H2,24,25,28,31)