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

Systemtic Name: 4-butoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-2-3-18-33-24-15-13-21(14-16-24)26(32)30-27(34)29-23-11-7-10-22(19-23)28-25(31)17-12-20-8-5-4-6-9-20/h4-11,13-16,19H,2-3,12,17-18H2,1H3,(H,28,31)(H2,29,30,32,34)