2-nitro-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 2-nitro-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 2-nitro-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-nitro-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-18(16-9-2-3-10-17(16)24(27)28)22-20(29)21-15-8-6-7-14(13-15)19(26)23-11-4-1-5-12-23/h2-3,6-10,13H,1,4-5,11-12H2,(H2,21,22,25,29)