N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O5S/c1-2-3-4-10-19-35-24-17-15-22(16-18-24)27(33)31-32-29(38)30-28(34)25-13-8-9-14-26(25)37-21-20-36-23-11-6-5-7-12-23/h5-9,11-18H,2-4,10,19-21H2,1H3,(H,31,33)(H2,30,32,34,38)