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

Systemtic Name: 4-heptoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C30H35N3O3S/c1-2-3-4-5-9-22-36-27-19-13-24(14-20-27)29(35)33-30(37)32-26-17-15-25(16-18-26)31-28(34)21-12-23-10-7-6-8-11-23/h6-8,10-11,13-20H,2-5,9,12,21-22H2,1H3,(H,31,34)(H2,32,33,35,37)