N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-thioxo-1H-pyridine-3-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-thioxo-1H-pyridine-3-carboxamide Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CNC4=S

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CNC4=S

InChI

InChI=1S/C23H24N4OS/c28-22(21-7-4-12-24-23(21)29)25-19-8-10-20(11-9-19)27-15-13-26(14-16-27)17-18-5-2-1-3-6-18/h1-12H,13-17H2,(H,24,29)(H,25,28)/p+1