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

Systemtic Name: 5-chloranyl-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C24H26ClN4OS+ MolecularWeight: 454.00744

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

InChI

InChI=1S/C24H25ClN4OS/c1-2-28-13-15-29(16-14-28)18-11-9-17(10-12-18)26-24(31)27-23(30)21-7-3-6-20-19(21)5-4-8-22(20)25/h3-12H,2,13-16H2,1H3,(H2,26,27,30,31)/p+1