N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)carbonyl-piperidine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[(4-fluorophenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide Formula: C21H23FN2OS MolecularWeight: 370.483523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2OS/c1-14-3-4-15(2)19(13-14)23-21(26)24-11-9-17(10-12-24)20(25)16-5-7-18(22)8-6-16/h3-8,13,17H,9-12H2,1-2H3,(H,23,26)