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

Systemtic Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(3,4-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[(3,4-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H26FN4OS+ MolecularWeight: 401.520743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN4OS/c1-15-3-6-19(13-16(15)2)24-21(28)26-11-9-25(10-12-26)14-20(27)23-18-7-4-17(22)5-8-18/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)(H,24,28)/p+1