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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

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