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

Systemtic Name: 4-tert-butyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-6-19(26)24-18-13-17(12-7-14(18)2)23-21(28)25-20(27)15-8-10-16(11-9-15)22(3,4)5/h7-13H,6H2,1-5H3,(H,24,26)(H2,23,25,27,28)