N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N4OS/c1-26-13-15-27(16-14-26)19-11-9-18(10-12-19)24-23(29)25-22(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-12H,13-16H2,1H3,(H2,24,25,28,29)/p+1