4-tert-butyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-5-18(25)22-16-7-6-8-17(13-16)23-20(27)24-19(26)14-9-11-15(12-10-14)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,25)(H2,23,24,26,27)