N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-naphthamide Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N4OS/c1-2-27-13-15-28(16-14-27)22-11-9-21(10-12-22)25-24(30)26-23(29)20-8-7-18-5-3-4-6-19(18)17-20/h3-12,17H,2,13-16H2,1H3,(H2,25,26,29,30)/p+1