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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: 3-(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=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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