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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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