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

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-2-8-24(30)27-19-13-15-20(16-14-19)28-26(34)29-25(31)22-11-6-7-12-23(22)33-18-17-32-21-9-4-3-5-10-21/h3-7,9-16H,2,8,17-18H2,1H3,(H,27,30)(H2,28,29,31,34)