4-[(4-oxidanylpiperidin-1-yl)sulfonylmethyl]benzenecarbothioamide

Systemtic Name: 4-[(4-oxidanylpiperidin-1-yl)sulfonylmethyl]benzenecarbothioamide Openeye Name: 4-[(4-hydroxy-1-piperidyl)sulfonylmethyl]benzenecarbothioamide CAS Name: 4-[(4-hydroxy-1-piperidinyl)sulfonylmethyl]benzenecarbothioamide IUPAC Name: 4-[(4-hydroxypiperidin-1-yl)sulfonylmethyl]benzenecarbothioamide Traditional Name: 4-[(4-hydroxypiperidino)sulfonylmethyl]thiobenzamide Formula: C13H18N2O3S2 MolecularWeight: 314.42362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CN(CCC1O)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H18N2O3S2/c14-13(19)11-3-1-10(2-4-11)9-20(17,18)15-7-5-12(16)6-8-15/h1-4,12,16H,5-9H2,(H2,14,19)