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

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

Isomeric SMILES

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

InChI

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