N-[[3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-4-18(24)21-16-6-5-7-17(12-16)22-20(26)23-19(25)15-10-8-14(9-11-15)13(2)3/h5-13H,4H2,1-3H3,(H,21,24)(H2,22,23,25,26)