N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2S/c1-5-6-13(21)18-10-7-8-11(17)12(9-10)19-15(23)20-14(22)16(2,3)4/h7-9H,5-6H2,1-4H3,(H,18,21)(H2,19,20,22,23)