3-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-5-20(27)25-18-11-16(8-6-14(18)4)24-22(30)26-21(28)15-7-9-19(17(23)10-15)29-12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,25,27)(H2,24,26,28,30)