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

Systemtic Name: 3-bromanyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-bromo-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 3-bromo-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-bromo-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H26BrN5O3S MolecularWeight: 532.45324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN5O3S/c24-18-6-4-5-17(15-18)22(30)25-23(33)28-13-11-26(12-14-28)19-7-8-20(29(31)32)21(16-19)27-9-2-1-3-10-27/h4-8,15-16H,1-3,9-14H2,(H,25,30,33)