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

Systemtic Name: 3-(2-phenoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-(2-phenoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: 3-(2-phenoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-3-(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(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

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