3-nitro-4-piperidin-1-yl-N-(quinolin-8-ylcarbamothioyl)benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-(quinolin-8-ylcarbamothioyl)benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-(8-quinolylcarbamothioyl)benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[(8-quinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-(quinolin-8-ylcarbamothioyl)benzamide Traditional Name: 3-nitro-4-piperidino-N-(8-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=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

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