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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(p-tolylcarbamothioyl)piperazin-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(p-tolylthiocarbamoyl)piperazino]acetamide Formula: C20H23FN4OS MolecularWeight: 386.486223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4OS/c1-15-5-7-17(8-6-15)23-20(27)25-11-9-24(10-12-25)14-19(26)22-18-4-2-3-16(21)13-18/h2-8,13H,9-12,14H2,1H3,(H,22,26)(H,23,27)