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

Systemtic Name: 3-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H29BrClN3O3S MolecularWeight: 554.92736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl)Br

InChI

InChI=1S/C24H29BrClN3O3S/c1-3-5-6-7-13-32-21-12-9-16(14-18(21)25)23(31)29-24(33)28-20-15-17(10-11-19(20)26)27-22(30)8-4-2/h9-12,14-15H,3-8,13H2,1-2H3,(H,27,30)(H2,28,29,31,33)