3-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C)Br

InChI

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