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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 2-phenethyloxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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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=C2OCCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C28H30N4O4S/c1-2-3-13-25(33)29-22-16-14-21(15-17-22)26(34)31-32-28(37)30-27(35)23-11-7-8-12-24(23)36-19-18-20-9-5-4-6-10-20/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,29,33)(H,31,34)(H2,30,32,35,37)