2-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide

Systemtic Name: 2-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide Openeye Name: 2-[[3-(hydroxymethyl)-1-piperidyl]sulfonylmethyl]benzenecarbothioamide CAS Name: 2-[[3-(hydroxymethyl)-1-piperidinyl]sulfonylmethyl]benzenecarbothioamide IUPAC Name: 2-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide Traditional Name: 2-[(3-methylolpiperidino)sulfonylmethyl]thiobenzamide Formula: C14H20N2O3S2 MolecularWeight: 328.4502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2C(=S)N)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2C(=S)N)CO

InChI

InChI=1S/C14H20N2O3S2/c15-14(20)13-6-2-1-5-12(13)10-21(18,19)16-7-3-4-11(8-16)9-17/h1-2,5-6,11,17H,3-4,7-10H2,(H2,15,20)