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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NC3=CC=CC=C3F)C

InChI

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