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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: 4-phenyl-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O2S/c1-25(2,3)23(30)26-20-10-7-11-21(16-20)27-24(31)28-22(29)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-16H,1-3H3,(H,26,30)(H2,27,28,29,31)