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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(2-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(2-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=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

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