N-(1-phenylethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-(1-phenylethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: N-(1-phenylethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: 4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: N-(1-phenylethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: 4-(hydrocinnamoylthiocarbamoylamino)-N-(1-phenylethyl)benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-18(20-10-6-3-7-11-20)26-24(30)21-13-15-22(16-14-21)27-25(31)28-23(29)17-12-19-8-4-2-5-9-19/h2-11,13-16,18H,12,17H2,1H3,(H,26,30)(H2,27,28,29,31)