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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

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