N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[(4-hexoxyanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(4-hexoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H32N2O3S MolecularWeight: 476.63028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O3S/c1-2-3-4-10-20-32-24-17-15-23(16-18-24)29-28(34)30-27(31)25-13-8-9-14-26(25)33-21-19-22-11-6-5-7-12-22/h5-9,11-18H,2-4,10,19-21H2,1H3,(H2,29,30,31,34)