N-(2-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(2,5-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

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