2-chloranyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-chloro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 2-chloro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-chloro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H26ClN5O3S MolecularWeight: 488.00224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H26ClN5O3S/c24-19-7-3-2-6-18(19)22(30)25-23(33)28-14-12-26(13-15-28)17-8-9-20(29(31)32)21(16-17)27-10-4-1-5-11-27/h2-3,6-9,16H,1,4-5,10-15H2,(H,25,30,33)