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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl)C

InChI

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