N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4S/c1-2-3-5-10-20(26)24-25-22(30)23-21(27)17-11-13-19(14-12-17)29-16-15-28-18-8-6-4-7-9-18/h4,6-9,11-14H,2-3,5,10,15-16H2,1H3,(H,24,26)(H2,23,25,27,30)