N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-(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=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

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