N-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-[(2,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-3-fluoro-benzamide CAS Name: N-[1-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-3-fluorobenzamide IUPAC Name: N-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-3-fluorobenzamide Traditional Name: N-[1-[(2,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-3-fluoro-benzamide Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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