N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-(2-ethoxyethoxy)benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-(2-ethoxyethoxy)benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-(2-ethoxyethoxy)benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-(2-ethoxyethoxy)benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-(2-ethoxyethoxy)benzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-(2-ethoxyethoxy)benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2OCCOCC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2OCCOCC

InChI

InChI=1S/C22H26ClN3O4S/c1-3-7-20(27)24-15-10-11-17(23)18(14-15)25-22(31)26-21(28)16-8-5-6-9-19(16)30-13-12-29-4-2/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3,(H,24,27)(H2,25,26,28,31)