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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 4-hexoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-5-6-7-8-16-31-21-14-12-18(13-15-21)22(29)28-24(32)27-20-11-9-10-19(17-20)26-23(30)25(2,3)4/h9-15,17H,5-8,16H2,1-4H3,(H,26,30)(H2,27,28,29,32)