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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: 4-(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=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

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