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

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

Isomeric SMILES

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

InChI

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