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

Systemtic Name: 2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]piperazino]-N-isopropyl-acetamide Formula: C17H25FN4OS MolecularWeight: 352.470003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4OS/c1-12(2)19-16(23)11-21-6-8-22(9-7-21)17(24)20-14-5-4-13(3)15(18)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,23)(H,20,24)