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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 2-ethoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-27-17-12-7-6-11-16(17)18(25)24-20(28)23-15-10-8-9-14(13-15)22-19(26)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,26)(H2,23,24,25,28)