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

Systemtic Name: 3-(2-phenoxyethoxy)-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-(2-phenoxyethoxy)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: 3-(2-phenoxyethoxy)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-(2-phenoxyethoxy)-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O5S/c1-2-23(31)27-20-13-11-18(12-14-20)25(33)29-30-26(36)28-24(32)19-7-6-10-22(17-19)35-16-15-34-21-8-4-3-5-9-21/h3-14,17H,2,15-16H2,1H3,(H,27,31)(H,29,33)(H2,28,30,32,36)