4-[[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)methyl]cyclohexanecarboxylic acid CAS Name: 4-[[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(5-benzyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)methyl]cyclohexanecarboxylic acid Formula: C18H24N2O2S2 MolecularWeight: 364.52536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2CN(C(=S)SC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CCC1CN2CN(C(=S)SC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H24N2O2S2/c21-17(22)16-8-6-15(7-9-16)10-19-12-20(18(23)24-13-19)11-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,21,22)