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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O5S/c1-2-8-24(32)28-20-15-13-19(14-16-20)25(33)30-31-27(37)29-26(34)22-11-6-7-12-23(22)36-18-17-35-21-9-4-3-5-10-21/h3-7,9-16H,2,8,17-18H2,1H3,(H,28,32)(H,30,33)(H2,29,31,34,37)