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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 5-bromo-2-chloro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H25BrClN5O3S MolecularWeight: 566.8983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrClN5O3S/c24-16-4-6-19(25)18(14-16)22(31)26-23(34)29-12-10-27(11-13-29)17-5-7-20(30(32)33)21(15-17)28-8-2-1-3-9-28/h4-7,14-15H,1-3,8-13H2,(H,26,31,34)