4-chloranyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H20ClN3O2S MolecularWeight: 437.9418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O2S/c24-18-9-7-17(8-10-18)22(29)27-23(30)26-20-13-11-19(12-14-20)25-21(28)15-6-16-4-2-1-3-5-16/h1-5,7-14H,6,15H2,(H,25,28)(H2,26,27,29,30)