2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(2-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[(2-ethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2CC

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2CC

InChI

InChI=1S/C18H28N4OS/c1-3-9-19-17(23)14-21-10-12-22(13-11-21)18(24)20-16-8-6-5-7-15(16)4-2/h5-8H,3-4,9-14H2,1-2H3,(H,19,23)(H,20,24)/p+1