N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S/c27-21(15-14-17-8-3-1-4-9-17)24-19-12-7-13-20(16-19)25-23(29)26-22(28)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,27)(H2,25,26,28,29)