N-(1-phenylethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(1-phenylethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(1-phenylethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide CAS Name: 4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: N-(1-phenylethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2S/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/h2-18H,1H3,(H,26,30)(H2,27,28,29,31)/b17-12+