3-(4-fluoranyl-3-methyl-phenyl)-N-propan-2-yl-5-thiomorpholin-4-ylcarbonyl-piperidine-1-carboxamide

Systemtic Name: 3-(4-fluoranyl-3-methyl-phenyl)-N-propan-2-yl-5-thiomorpholin-4-ylcarbonyl-piperidine-1-carboxamide Openeye Name: 3-(4-fluoro-3-methyl-phenyl)-N-isopropyl-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide CAS Name: 3-(4-fluoro-3-methylphenyl)-5-[oxo(thiomorpholin-4-yl)methyl]-N-propan-2-yl-1-piperidinecarboxamide IUPAC Name: 3-(4-fluoro-3-methylphenyl)-N-propan-2-yl-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide Traditional Name: 3-(4-fluoro-3-methyl-phenyl)-N-isopropyl-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide Formula: C21H30FN3O2S MolecularWeight: 407.545203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CC(CN(C2)C(=O)NC(C)C)C(=O)N3CCSCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2CC(CN(C2)C(=O)NC(C)C)C(=O)N3CCSCC3)F

InChI

InChI=1S/C21H30FN3O2S/c1-14(2)23-21(27)25-12-17(16-4-5-19(22)15(3)10-16)11-18(13-25)20(26)24-6-8-28-9-7-24/h4-5,10,14,17-18H,6-9,11-13H2,1-3H3,(H,23,27)