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

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-2-24-12-14-25(15-13-24)19-10-8-18(9-11-19)22-21(27)23-20(26)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H2,22,23,26,27)/p+1