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

Systemtic Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O2S/c1-18(2)20-12-14-21(15-13-20)25(31)29-26(32)28-23-10-6-9-22(17-23)27-24(30)16-11-19-7-4-3-5-8-19/h3-10,12-15,17-18H,11,16H2,1-2H3,(H,27,30)(H2,28,29,31,32)