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

Systemtic Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3,4-dimethylanilino)-sulfanylidenemethyl]-1-piperazinyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[(3,4-dimethylphenyl)thiocarbamoyl]piperazino]-N-(3-fluorophenyl)acetamide Formula: C21H25FN4OS MolecularWeight: 400.512803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F)C

InChI

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