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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: 2-(2-phenoxyethoxy)-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C28H30N4O5S/c1-2-3-13-25(33)29-21-16-14-20(15-17-21)26(34)31-32-28(38)30-27(35)23-11-7-8-12-24(23)37-19-18-36-22-9-5-4-6-10-22/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,29,33)(H,31,34)(H2,30,32,35,38)