N-(hexadecylcarbamothioyl)-2-phenyl-ethanamide

Systemtic Name: N-(hexadecylcarbamothioyl)-2-phenyl-ethanamide Openeye Name: N-(hexadecylcarbamothioyl)-2-phenyl-acetamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-(hexadecylcarbamothioyl)-2-phenylacetamide Traditional Name: N-(cetylthiocarbamoyl)-2-phenyl-acetamide Formula: C25H42N2OS MolecularWeight: 418.67878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C25H42N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-25(29)27-24(28)22-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3,(H2,26,27,28,29)