N-phenethyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O2S/c29-23(16-15-19-9-3-1-4-10-19)28-25(31)27-22-14-8-7-13-21(22)24(30)26-18-17-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,26,30)(H2,27,28,29,31)/b16-15+