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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide CAS Name: 4-(2-ethoxyethoxy)-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-4-(2-ethoxyethoxy)benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-3-6-20(26)23-17-7-5-8-18(15-17)24-22(30)25-21(27)16-9-11-19(12-10-16)29-14-13-28-4-2/h5,7-12,15H,3-4,6,13-14H2,1-2H3,(H,23,26)(H2,24,25,27,30)