N-[1-[(2,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[(2,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[(2,4-dimethylphenyl)carbamothioyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[(2,4-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[(2,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[(2,4-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-4-fluoro-benzamide Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H24FN3OS/c1-14-3-8-19(15(2)13-14)24-21(27)25-11-9-18(10-12-25)23-20(26)16-4-6-17(22)7-5-16/h3-8,13,18H,9-12H2,1-2H3,(H,23,26)(H,24,27)