N-butyl-3-(3-methylphenyl)-5-thiomorpholin-4-ylcarbonyl-piperidine-1-carboxamide

Systemtic Name: N-butyl-3-(3-methylphenyl)-5-thiomorpholin-4-ylcarbonyl-piperidine-1-carboxamide Openeye Name: N-butyl-3-(m-tolyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide CAS Name: N-butyl-3-(3-methylphenyl)-5-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinecarboxamide IUPAC Name: N-butyl-3-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide Traditional Name: N-butyl-3-(m-tolyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CC(C1)C(=O)N2CCSCC2)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCNC(=O)N1CC(CC(C1)C(=O)N2CCSCC2)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H33N3O2S/c1-3-4-8-23-22(27)25-15-19(18-7-5-6-17(2)13-18)14-20(16-25)21(26)24-9-11-28-12-10-24/h5-7,13,19-20H,3-4,8-12,14-16H2,1-2H3,(H,23,27)