3-(hydroxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide

Systemtic Name: 3-(hydroxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide Openeye Name: 3-(hydroxymethyl)-N-(4-morpholinosulfonylphenyl)piperidine-1-carbothioamide CAS Name: 3-(hydroxymethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 3-(hydroxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide Traditional Name: 3-methylol-N-(4-morpholinosulfonylphenyl)piperidine-1-carbothioamide Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CO

Isomeric SMILES

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CO

InChI

InChI=1S/C17H25N3O4S2/c21-13-14-2-1-7-19(12-14)17(25)18-15-3-5-16(6-4-15)26(22,23)20-8-10-24-11-9-20/h3-6,14,21H,1-2,7-13H2,(H,18,25)