N-(hexadecylcarbamothioyl)-3,4,5-trimethoxy-benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-3,4,5-trimethoxy-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-3,4,5-trimethoxy-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-3,4,5-trimethoxybenzamide Traditional Name: N-(cetylthiocarbamoyl)-3,4,5-trimethoxy-benzamide Formula: C27H46N2O4S MolecularWeight: 494.73014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C27H46N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-27(34)29-26(30)22-20-23(31-2)25(33-4)24(21-22)32-3/h20-21H,5-19H2,1-4H3,(H2,28,29,30,34)