N-(heptylcarbamothioyl)-4-phenethyloxy-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-4-phenethyloxy-benzamide Openeye Name: N-(heptylcarbamothioyl)-4-phenethyloxy-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-(heptylcarbamothioyl)-4-phenethyloxybenzamide Traditional Name: N-(heptylthiocarbamoyl)-4-phenethyloxy-benzamide Formula: C23H30N2O2S MolecularWeight: 398.5615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O2S/c1-2-3-4-5-9-17-24-23(28)25-22(26)20-12-14-21(15-13-20)27-18-16-19-10-7-6-8-11-19/h6-8,10-15H,2-5,9,16-18H2,1H3,(H2,24,25,26,28)