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

Systemtic Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-2-17-32-23-10-6-9-20(18-23)25(31)29-26(33)28-22-14-12-21(13-15-22)27-24(30)16-11-19-7-4-3-5-8-19/h3-10,12-15,18H,2,11,16-17H2,1H3,(H,27,30)(H2,28,29,31,33)