N-(hexadecylcarbamothioyl)-3-phenethyloxy-benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-3-phenethyloxy-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-3-phenethyloxy-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-3-phenethyloxybenzamide Traditional Name: N-(cetylthiocarbamoyl)-3-phenethyloxy-benzamide Formula: C32H48N2O2S MolecularWeight: 524.80072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C32H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-33-32(37)34-31(35)29-22-19-23-30(27-29)36-26-24-28-20-16-15-17-21-28/h15-17,19-23,27H,2-14,18,24-26H2,1H3,(H2,33,34,35,37)