N-(phenylmethyl)-2-pyridin-2-yl-thiolane-2-carbothioamide

Systemtic Name: N-(phenylmethyl)-2-pyridin-2-yl-thiolane-2-carbothioamide Openeye Name: N-benzyl-2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide CAS Name: N-(phenylmethyl)-2-(2-pyridinyl)-2-thiolanecarbothioamide IUPAC Name: N-benzyl-2-pyridin-2-ylthiolane-2-carbothioamide Traditional Name: N-benzyl-2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide Formula: C17H18N2S2 MolecularWeight: 314.46822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)(C2=CC=CC=N2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CC(SC1)(C2=CC=CC=N2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H18N2S2/c20-16(19-13-14-7-2-1-3-8-14)17(10-6-12-21-17)15-9-4-5-11-18-15/h1-5,7-9,11H,6,10,12-13H2,(H,19,20)