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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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