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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-2-3-18-33-24-11-7-10-21(19-24)26(32)30-27(34)29-23-15-13-22(14-16-23)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)