N-(2-chlorophenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(3-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(3-ethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN4OS/c1-2-16-6-5-7-17(14-16)23-21(28)26-12-10-25(11-13-26)15-20(27)24-19-9-4-3-8-18(19)22/h3-9,14H,2,10-13,15H2,1H3,(H,23,28)(H,24,27)/p+1