3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H25BrClN3O3S MolecularWeight: 526.8742

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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)OCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrClN3O3S/c1-4-5-20(28)25-15-7-8-17(24)18(11-15)26-22(31)27-21(29)14-6-9-19(16(23)10-14)30-12-13(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,25,28)(H2,26,27,29,31)