N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-3-4-19(26)23-15-7-10-17(22)18(13-15)24-21(30)25-20(27)14-5-8-16(9-6-14)29-12-11-28-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27,30)