N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-(2-ethoxyethoxy)benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3-(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=C2)OCCOCC

Isomeric SMILES

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

InChI

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