4-(2-phenoxyethoxy)-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-(2-phenoxyethoxy)-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-(2-phenoxyethoxy)-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: 4-(2-phenoxyethoxy)-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C31H29N3O4S MolecularWeight: 539.64466

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)OCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O4S/c35-29(20-11-23-7-3-1-4-8-23)32-25-14-16-26(17-15-25)33-31(39)34-30(36)24-12-18-28(19-13-24)38-22-21-37-27-9-5-2-6-10-27/h1-10,12-19H,11,20-22H2,(H,32,35)(H2,33,34,36,39)