N-[[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H22ClN4OS2+ MolecularWeight: 409.97648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21ClN4OS2/c1-2-22-8-10-23(11-9-22)16-13(19)5-3-6-14(16)20-18(25)21-17(24)15-7-4-12-26-15/h3-7,12H,2,8-11H2,1H3,(H2,20,21,24,25)/p+1