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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 4-isobutoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H29N3O3S/c1-15(2)14-29-19-11-9-16(10-12-19)20(27)26-22(30)25-18-8-6-7-17(13-18)24-21(28)23(3,4)5/h6-13,15H,14H2,1-5H3,(H,24,28)(H2,25,26,27,30)