2-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[(3-chloro-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[(3-chloro-4-methylphenyl)carbamothioyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]piperazino]-N-(3-fluorophenyl)acetamide Formula: C20H22ClFN4OS MolecularWeight: 420.931283

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN4OS/c1-14-5-6-17(12-18(14)21)24-20(28)26-9-7-25(8-10-26)13-19(27)23-16-4-2-3-15(22)11-16/h2-6,11-12H,7-10,13H2,1H3,(H,23,27)(H,24,28)