N-(hexadecylcarbamothioyl)-2-(3-methylbutoxy)benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-2-(3-methylbutoxy)benzamide Openeye Name: N-(hexadecylcarbamothioyl)-2-isopentyloxy-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: N-(hexadecylcarbamothioyl)-2-(3-methylbutoxy)benzamide Traditional Name: N-(cetylthiocarbamoyl)-2-isoamoxy-benzamide Formula: C29H50N2O2S MolecularWeight: 490.7845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC=CC=C1OCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC=CC=C1OCCC(C)C

InChI

InChI=1S/C29H50N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-30-29(34)31-28(32)26-20-17-18-21-27(26)33-24-22-25(2)3/h17-18,20-21,25H,4-16,19,22-24H2,1-3H3,(H2,30,31,32,34)