2-(3-methylbutoxy)-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-20(2)18-19-34-25-11-7-6-10-24(25)27(33)31-28(35)30-23-15-13-22(14-16-23)29-26(32)17-12-21-8-4-3-5-9-21/h3-11,13-16,20H,12,17-19H2,1-2H3,(H,29,32)(H2,30,31,33,35)