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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 4-(2-methoxyethoxy)-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC

InChI

InChI=1S/C22H27N3O4S/c1-22(2,3)20(27)23-16-6-5-7-17(14-16)24-21(30)25-19(26)15-8-10-18(11-9-15)29-13-12-28-4/h5-11,14H,12-13H2,1-4H3,(H,23,27)(H2,24,25,26,30)